4-NITROBENZYL BENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H11NO4
Molecular Weight	257.2414
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-NITROBENZYL BENZOATE

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(COC(=O)C2=CC=CC=C2)C=C1

InChI

InChIKey=CRTADXBPEXSZLH-UHFFFAOYSA-N

InChI=1S/C14H11NO4/c16-14(12-4-2-1-3-5-12)19-10-11-6-8-13(9-7-11)15(17)18/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula	C14H11NO4
Molecular Weight	257.2414
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:29:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:11 GMT 2025`
Record UNII	2INN7JCA39
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-130934

Preferred Name

English

4-NITROBENZYL BENZOATE

Systematic Name

English

P-NITROBENZYL BENZOATE

Systematic Name

English

(4-NITROPHENYL)METHYL BENZOATE

Systematic Name

English

BENZENEMETHANOL, 4-NITRO-, BENZOATE (ESTER)

Common Name

English

Code System Code Type Description

CAS

4457-41-4

Created by admin on Mon Mar 31 22:29:11 GMT 2025 , Edited by admin on Mon Mar 31 22:29:11 GMT 2025

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EPA CompTox

DTXSID50196225

Created by admin on Mon Mar 31 22:29:11 GMT 2025 , Edited by admin on Mon Mar 31 22:29:11 GMT 2025

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PUBCHEM

97533

Created by admin on Mon Mar 31 22:29:11 GMT 2025 , Edited by admin on Mon Mar 31 22:29:11 GMT 2025

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FDA UNII

2INN7JCA39

Created by admin on Mon Mar 31 22:29:11 GMT 2025 , Edited by admin on Mon Mar 31 22:29:11 GMT 2025

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NSC

130934

Created by admin on Mon Mar 31 22:29:11 GMT 2025 , Edited by admin on Mon Mar 31 22:29:11 GMT 2025

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