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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17NO5
Molecular Weight 291.2992
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL 2-(2-NITROBENZYLIDENE)ACETOACETATE

SMILES

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

InChI

InChIKey=MGPMEYRPZPIHIL-JYRVWZFOSA-N
InChI=1S/C15H17NO5/c1-10(2)9-21-15(18)13(11(3)17)8-12-6-4-5-7-14(12)16(19)20/h4-8,10H,9H2,1-3H3/b13-8-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ISOBUTYL 2-(2-NITROBENZYLIDENE)ACETOACETATE
Systematic Name English
ISOBUTYL (Z)-2-(2-NITROBENZYLIDENE)-3-OXOBUTANOATE
Common Name English
2-((2-NITROPHENYL)METHYLENE)-3-OXOBUTANOIC ACID 2-METHYLPROPYL ESTER
Systematic Name English
BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, 2-METHYLPROPYL ESTER
Systematic Name English
NISOLDIPINE RELATED COMPOUND C
Common Name English
Code System Code Type Description
PUBCHEM
22061427
Created by admin on Sat Dec 16 11:01:51 GMT 2023 , Edited by admin on Sat Dec 16 11:01:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID30708820
Created by admin on Sat Dec 16 11:01:51 GMT 2023 , Edited by admin on Sat Dec 16 11:01:51 GMT 2023
PRIMARY
CAS
61312-59-2
Created by admin on Sat Dec 16 11:01:51 GMT 2023 , Edited by admin on Sat Dec 16 11:01:51 GMT 2023
PRIMARY
FDA UNII
XY27DF366B
Created by admin on Sat Dec 16 11:01:51 GMT 2023 , Edited by admin on Sat Dec 16 11:01:51 GMT 2023
PRIMARY
NIH
NCATS
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