4-(4-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxo-butanoate
Molecular Formula:
C
13
H
11
N
4
O
5
-
InChI:
InChI=1/C13H12N4O5/c1-8-2-4-9(5-3-8)11(18)6-10(12(19)20)16-7-14-13(15-16)17(21)22/h2-5,7,10H,6H2,1H3,(H,19,20)/p-1/fC13H11N4O5/q-1
InChIKey:
InChIKey=OEANJVRCXHQERV-UHELBJICCD
SMILES:
CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])N2C=NC(=N2)[N+](=O)[O-]
Names:
4-(4-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxo-butanoate
Registries:
PubChem CID 4106387
PubChem ID 6030564