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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO5
Molecular Weight 249.2194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, METHYL ESTER, (2Z)-

SMILES

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

InChI

InChIKey=APKKCRAKPMSAEI-YFHOEESVSA-N
InChI=1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3/b10-7-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, METHYL ESTER, (2Z)-
Systematic Name English
METHYL (2Z)-2-((2-NITROPHENYL)METHYLENE)-3-OXOBUTANOATE
Preferred Name English
BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, METHYL ESTER, (Z)-
Systematic Name English
NIFEDIPINE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
787117
Created by admin on Mon Mar 31 23:46:09 GMT 2025 , Edited by admin on Mon Mar 31 23:46:09 GMT 2025
PRIMARY
CAS
111304-31-5
Created by admin on Mon Mar 31 23:46:09 GMT 2025 , Edited by admin on Mon Mar 31 23:46:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID401045041
Created by admin on Mon Mar 31 23:46:09 GMT 2025 , Edited by admin on Mon Mar 31 23:46:09 GMT 2025
PRIMARY
FDA UNII
AM9X97376Y
Created by admin on Mon Mar 31 23:46:09 GMT 2025 , Edited by admin on Mon Mar 31 23:46:09 GMT 2025
PRIMARY
NIH
NCATS
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