prop-2-enyl (8Z)-2-(4-acetyloxy-3-methoxy-phenyl)-8-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Molecular Formula:
C
37
H
31
N
5
O
9
S
InChI:
InChI=1/C37H31N5O9S/c1-6-16-50-36(45)32-21(2)38-37-41(34(32)24-13-15-29(51-22(3)43)30(18-24)49-5)35(44)31(52-37)19-25-20-40(26-10-8-7-9-11-26)39-33(25)23-12-14-28(48-4)27(17-23)42(46)47/h6-15,17-20,34H,1,16H2,2-5H3/b31-19-
InChIKey:
InChIKey=ABYXSPUUPSOWRV-DXJNIWACBQ
SMILES:
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)[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)-8-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Registries:
PubChem CID 6293776
PubChem ID 11591393