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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO5S/c21-15-10-6-11-16(25-19(22)13-7-2-1-3-8-13)18(15)26-17-12-5-4-9-14(17)20(23)24/h1-5,7-9,12H,6,10-11H2