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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 3-Nitrobenzyl benzoate

SMILES

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

InChI

InChIKey=XYHCAQKUZAEVJN-UHFFFAOYSA-N
InChI=1S/C14H11NO4/c16-14(12-6-2-1-3-7-12)19-10-11-5-4-8-13(9-11)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 Sat Dec 16 08:42:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:42:20 GMT 2023
Record UNII
4E93JJ9EK3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Nitrobenzyl benzoate
Systematic Name English
m-Nitrobenzyl benzoate
Systematic Name English
Benzenemethanol, 3-nitro-, benzoate (ester)
Systematic Name English
Benzenemethanol, 3-nitro-, 1-benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
148251
Created by admin on Sat Dec 16 08:42:20 GMT 2023 , Edited by admin on Sat Dec 16 08:42:20 GMT 2023
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FDA UNII
4E93JJ9EK3
Created by admin on Sat Dec 16 08:42:20 GMT 2023 , Edited by admin on Sat Dec 16 08:42:20 GMT 2023
PRIMARY
CAS
38612-16-7
Created by admin on Sat Dec 16 08:42:20 GMT 2023 , Edited by admin on Sat Dec 16 08:42:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID10191933
Created by admin on Sat Dec 16 08:42:20 GMT 2023 , Edited by admin on Sat Dec 16 08:42:20 GMT 2023
PRIMARY