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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO4
Molecular Weight 181.1455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-nitrobenzoate

SMILES

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

InChI

InChIKey=AXLYJLKKPUICKV-UHFFFAOYSA-N
InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-nitrobenzoate
Systematic Name English
Methyl m-nitrobenzoate
Systematic Name English
Benzoic acid, 3-nitro-, methyl ester
Systematic Name English
m-Nitrobenzoic acid, methyl ester
Systematic Name English
NSC-1327
Code English
Benzoic acid, m-nitro-, methyl ester
Systematic Name English
AI3-08853
Code English
Code System Code Type Description
CAS
618-95-1
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY
FDA UNII
UWP97MS7EU
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-573-0
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY
PUBCHEM
69260
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID5060691
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY
NSC
1327
Created by admin on Sat Dec 16 12:30:21 GMT 2023 , Edited by admin on Sat Dec 16 12:30:21 GMT 2023
PRIMARY