2-(TERT-BUTOXYCARBONYLOXIMINO)-2-PHENYLACETONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-(TERT-BUTOXYCARBONYLOXIMINO)-2-PHENYLACETONITRILE

Structure Search

SMILES

CC(C)(C)OC(=O)O\N=C(/C#N)C1=CC=CC=C1

InChI

InChIKey=QQWYQAQQADNEIC-RVDMUPIBSA-N

InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3/b15-11+

HIDE SMILES / InChI

Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:20:05 GMT 2025` Edited by `admin` on `Mon Mar 31 21:20:05 GMT 2025`
Record UNII	F039SLP7BB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-328381

Preferred Name

English

2-(TERT-BUTOXYCARBONYLOXIMINO)-2-PHENYLACETONITRILE

Systematic Name

English

BENZENEACETONITRILE, .ALPHA.-((((1,1- DIMETHYLETHOXY)CARBONYL)OXY)IMINO)-

Systematic Name

English

TERT-BUTYL .ALPHA.-CYANOBENZYLAMINYL CARBONATE

Systematic Name

English

CARBONIC ACID, (CYANOPHENYLMETHYLENE)AZANYL 1,1-DIMETHYLETHYL ESTER

Common Name

English

2-(BOC-OXYIMINO)-2-PHENYLACETONITRILE [MI]

Common Name

English

2-(TERT-BUTYLOXYCARBONYLOXYIMINO)-2-PHENYLACETONITRILE

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m2593

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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Merck Index

PUBCHEM

5365066

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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FDA UNII

F039SLP7BB

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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EPA CompTox

DTXSID8069278

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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NSC

328381

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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ECHA (EC/EINECS)

261-370-9

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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CAS

58632-95-4

Created by admin on Mon Mar 31 21:20:05 GMT 2025 , Edited by admin on Mon Mar 31 21:20:05 GMT 2025

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