prop-2-enyl (8Z)-2-(4-acetyloxy-3-methoxy-phenyl)-4-methyl-8-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Molecular Formula:
C
36
H
29
N
5
O
8
S
InChI:
InChI=1/C36H29N5O8S/c1-5-16-48-35(44)31-21(2)37-36-40(33(31)24-14-15-28(49-22(3)42)29(18-24)47-4)34(43)30(50-36)19-25-20-39(26-11-7-6-8-12-26)38-32(25)23-10-9-13-27(17-23)41(45)46/h5-15,17-20,33H,1,16H2,2-4H3/b30-19-
InChIKey:
InChIKey=PMVRFWSOMOMQEX-FSGOGVSDBA
SMILES:
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=N1)C6=CC(=C(C=C6)OC(=O)C)OC)C(=O)OCC=C
Names:
prop-2-enyl (8Z)-2-(4-acetyloxy-3-methoxy-phenyl)-4-methyl-8-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Registries:
PubChem CID 6291357
PubChem ID 11590518