(E)-6-(3-NITROPHENYL)-4-OXOHEX-5-ENOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11NO5
Molecular Weight	249.2194
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (E)-6-(3-NITROPHENYL)-4-OXOHEX-5-ENOIC ACID

Structure Search

SMILES

OC(=O)CCC(=O)\C=C\C1=CC=CC(=C1)[N+]([O-])=O

InChI

InChIKey=VBUVBQVVUXMCTD-SNAWJCMRSA-N

InChI=1S/C12H11NO5/c14-11(6-7-12(15)16)5-4-9-2-1-3-10(8-9)13(17)18/h1-5,8H,6-7H2,(H,15,16)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C12H11NO5
Molecular Weight	249.2194
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:03:40 GMT 2025` Edited by `admin` on `Tue Apr 01 20:03:40 GMT 2025`
Record UNII	7ZEB1F75L8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HEXENOIC ACID, 6-(M-NITROPHENYL)-4-OXO-

Preferred Name

English

(E)-6-(3-NITROPHENYL)-4-OXOHEX-5-ENOIC ACID

Systematic Name

English

NSC-81134

Code

English

6-(3-NITROPHENYL)-4-OXO-5-HEXENOIC ACID

Systematic Name

English

.DELTA.-HEXENOIC ACID, .GAMMA.-KETO-.EPSILON.-(M-NITROPHENYL)-

Systematic Name

English

Code System Code Type Description

NSC

81134

Created by admin on Tue Apr 01 20:03:40 GMT 2025 , Edited by admin on Tue Apr 01 20:03:40 GMT 2025

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CAS

74038-57-6

Created by admin on Tue Apr 01 20:03:40 GMT 2025 , Edited by admin on Tue Apr 01 20:03:40 GMT 2025

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PUBCHEM

5357568

Created by admin on Tue Apr 01 20:03:40 GMT 2025 , Edited by admin on Tue Apr 01 20:03:40 GMT 2025

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FDA UNII

7ZEB1F75L8

Created by admin on Tue Apr 01 20:03:40 GMT 2025 , Edited by admin on Tue Apr 01 20:03:40 GMT 2025

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