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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 P-NITROBENZOATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H7NO4
Molecular Weight 181.1455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:20 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:20 GMT 2023
Record UNII
NMN8CTH864
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL P-NITROBENZOATE
Common Name English
NSC-4137
Code English
P-NITROBENZOIC ACID METHYL ESTER
Common Name English
BENZOIC ACID, 4-NITRO-, METHYL ESTER
Systematic Name English
P-CARBOMETHOXYNITROBENZENE
Common Name English
BENZOIC ACID, P-NITRO-, METHYL ESTER
Common Name English
4-NITROBENZOIC ACID METHYL ESTER
Systematic Name English
4-METHOXYCARBONYLNITROBENZENE
Systematic Name English
METHYL 4-NITROBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
NMN8CTH864
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID3022085
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
CAS
619-50-1
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
NSC
4137
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-599-2
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
PUBCHEM
12083
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY