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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-methylpropanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-10(2)16(19)22-13-8-5-7-12(18)15(13)23-14-9-4-3-6-11(14)17(20)21/h3-4,6,9-10H,5,7-8H2,1-2H3