U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2O2
Molecular Weight 230.2625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Nitrophenyl)cyclohexanecarbonitrile

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C2(CCCCC2)C#N

InChI

InChIKey=SPJWHGODDUYDNH-UHFFFAOYSA-N
InChI=1S/C13H14N2O2/c14-10-13(8-2-1-3-9-13)11-4-6-12(7-5-11)15(16)17/h4-7H,1-3,8-9H2

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(4-Nitrophenyl)cyclohexanecarbonitrile
Systematic Name English
1-(4-Nitrophenyl)cyclohexane-1-carbonitrile
Systematic Name English
Cyclohexanecarbonitrile, 1-(4-nitrophenyl)-
Systematic Name English
Code System Code Type Description
CAS
96312-89-9
Created by admin on Sat Dec 16 19:59:12 GMT 2023 , Edited by admin on Sat Dec 16 19:59:12 GMT 2023
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FDA UNII
LFD7678GEZ
Created by admin on Sat Dec 16 19:59:12 GMT 2023 , Edited by admin on Sat Dec 16 19:59:12 GMT 2023
PRIMARY
PUBCHEM
404643923
Created by admin on Sat Dec 16 19:59:12 GMT 2023 , Edited by admin on Sat Dec 16 19:59:12 GMT 2023
PRIMARY