2-[(S)-(2-nitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione

Systemtic Name: 2-[(S)-(2-nitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione Openeye Name: 2-[(S)-(2-hydroxy-6-oxo-cyclohexen-1-yl)-(2-nitrophenyl)methyl]cyclohexane-1,3-dione CAS Name: 2-[(S)-(2-hydroxy-6-oxo-1-cyclohexenyl)-(2-nitrophenyl)methyl]cyclohexane-1,3-dione IUPAC Name: 2-[(S)-(2-hydroxy-6-oxocyclohexen-1-yl)-(2-nitrophenyl)methyl]cyclohexane-1,3-dione Traditional Name: 2-[(S)-(2-hydroxy-6-keto-cyclohexen-1-yl)-(2-nitrophenyl)methyl]cyclohexane-1,3-quinone Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(C2=CC=CC=C2[N+](=O)[O-])C3=C(CCCC3=O)O

Isomeric SMILES

C1CC(=O)C(C(=O)C1)[C@@H](C2=CC=CC=C2[N+](=O)[O-])C3=C(CCCC3=O)O

InChI

InChI=1S/C19H19NO6/c21-13-7-3-8-14(22)18(13)17(19-15(23)9-4-10-16(19)24)11-5-1-2-6-12(11)20(25)26/h1-2,5-6,17-18,23H,3-4,7-10H2/t17-/m1/s1