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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-METHYL-3-NITROBENZOATE

SMILES

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

InChI

InChIKey=YFPBHPCMYFCRKS-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 4-METHYL-3-NITROBENZOATE
Systematic Name English
NSC-29086
Preferred Name English
METHYL 3-NITRO-4-METHYLBENZOATE
Systematic Name English
BENZOIC ACID, 4-METHYL-3-NITRO-, METHYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
230-886-6
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID3064641
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY
CAS
7356-11-8
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY
PUBCHEM
81816
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY
FDA UNII
SP3WQE4WRB
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY
NSC
29086
Created by admin on Mon Mar 31 18:35:57 GMT 2025 , Edited by admin on Mon Mar 31 18:35:57 GMT 2025
PRIMARY