[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3-phenylprop-2-enoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3-phenylprop-2-enoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C21H17NO5S/c23-17-10-6-11-18(27-20(24)14-13-15-7-2-1-3-8-15)21(17)28-19-12-5-4-9-16(19)22(25)26/h1-5,7-9,12-14H,6,10-11H2