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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O4
Molecular Weight 296.2775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-hydroxy-3-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

SMILES

COC1=C(O)C=CC(\C=C(/C#N)C2=CC=C(C=C2)[N+]([O-])=O)=C1

InChI

InChIKey=PTCJOUIYZWHSJX-MDWZMJQESA-N
InChI=1S/C16H12N2O4/c1-22-16-9-11(2-7-15(16)19)8-13(10-17)12-3-5-14(6-4-12)18(20)21/h2-9,19H,1H3/b13-8+

HIDE SMILES / InChI

Molecular Formula C16H12N2O4
Molecular Weight 296.2775
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:05:07 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:07 GMT 2023
Record UNII
D9FV5YNT7M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-hydroxy-3-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Systematic Name English
α-[(4-Hydroxy-3-methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, α-[(4-hydroxy-3-methoxyphenyl)methylene]-4-nitro-
Systematic Name English
NSC-201675
Code English
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Systematic Name English
Acrylonitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-(p-nitrophenyl)-, (Z)-
Systematic Name English
Acrylonitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-(p-nitrophenyl)-
Systematic Name English
3-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(HYDROXY(OXIDO)AMINO)PHENYL)ACRYLONITRILE
Systematic Name English
N-(4-(1-Cyano-2-(4-hydroxy-3-methoxyphenyl)vinyl)phenyl)azinic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50308048
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
PRIMARY
NSC
201675
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
PRIMARY
PUBCHEM
870956
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
PRIMARY
CAS
58521-33-8
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
D9FV5YNT7M
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
PRIMARY
CAS
2900-76-7
Created by admin on Sat Dec 16 13:05:07 GMT 2023 , Edited by admin on Sat Dec 16 13:05:07 GMT 2023
PRIMARY