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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethylpropanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-17(2,3)16(20)23-13-9-6-8-12(19)15(13)24-14-10-5-4-7-11(14)18(21)22/h4-5,7,10H,6,8-9H2,1-3H3