[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H17NO5S/c1-13-9-11-14(12-10-13)20(23)26-17-7-4-6-16(22)19(17)27-18-8-3-2-5-15(18)21(24)25/h2-3,5,8-12H,4,6-7H2,1H3