methyl (1S)-2,2-dimethyl-5-[(4-nitrophenyl)-oxidanyl-methylidene]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-2,2-dimethyl-5-[(4-nitrophenyl)-oxidanyl-methylidene]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-[hydroxy-(4-nitrophenyl)methylene]-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: (1S)-5-[hydroxy-(4-nitrophenyl)methylidene]-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-[hydroxy-(4-nitrophenyl)methylidene]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: (1S)-5-[hydroxy-(4-nitrophenyl)methylene]-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1C(=O)OC)C

Isomeric SMILES

CC1(CC(=O)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)[C@H]1C(=O)OC)C

InChI

InChI=1S/C17H17NO7/c1-17(2)8-11(19)12(15(21)13(17)16(22)25-3)14(20)9-4-6-10(7-5-9)18(23)24/h4-7,13,20H,8H2,1-3H3/t13-/m0/s1