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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] ethanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] acetate CAS Name: acetic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] acetate Traditional Name: acetic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=O)CCC1)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C(=O)CCC1)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-9(16)20-12-7-4-6-11(17)14(12)21-13-8-3-2-5-10(13)15(18)19/h2-3,5,8H,4,6-7H2,1H3