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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N3O2
Molecular Weight 163.1335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-5-NITROBENZONITRILE

SMILES

NC1=CC=C(C=C1C#N)[N+]([O-])=O

InChI

InChIKey=MGCGMYPNXAFGFA-UHFFFAOYSA-N
InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2

HIDE SMILES / InChI

Molecular Formula C7H5N3O2
Molecular Weight 163.1335
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Hydrogen bonding in C-substituted nitroanilines: pi-stacked sheets of R4 4(20) and R4 4(28) rings in 2-cyano-4-nitroaniline.
2004-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:46:56 GMT 2025
Edited
by admin
on Mon Mar 31 18:46:56 GMT 2025
Record UNII
SEZ79WRA1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-5-NITROBENZONITRILE
Systematic Name English
4-NITRO-2-CYANOANILINE
Preferred Name English
AMINO-5-NITROBENZONITRILE, 2-
Systematic Name English
BENZONITRILE, 2-AMINO-5-NITRO-
Systematic Name English
5-NITROANTHRANILONITRILE
Systematic Name English
ANTHRANILONITRILE, 5-NITRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
28532
Created by admin on Mon Mar 31 18:46:56 GMT 2025 , Edited by admin on Mon Mar 31 18:46:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID0038839
Created by admin on Mon Mar 31 18:46:56 GMT 2025 , Edited by admin on Mon Mar 31 18:46:56 GMT 2025
PRIMARY
FDA UNII
SEZ79WRA1J
Created by admin on Mon Mar 31 18:46:56 GMT 2025 , Edited by admin on Mon Mar 31 18:46:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-446-8
Created by admin on Mon Mar 31 18:46:56 GMT 2025 , Edited by admin on Mon Mar 31 18:46:56 GMT 2025
PRIMARY
CAS
17420-30-3
Created by admin on Mon Mar 31 18:46:56 GMT 2025 , Edited by admin on Mon Mar 31 18:46:56 GMT 2025
PRIMARY