[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dimethoxyphenyl)acrylic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C23H21NO7S MolecularWeight: 455.48034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C23H21NO7S/c1-29-18-12-10-15(14-20(18)30-2)11-13-22(26)31-19-8-5-7-17(25)23(19)32-21-9-4-3-6-16(21)24(27)28/h3-4,6,9-14H,5,7-8H2,1-2H3