methyl 4,4-dimethyl-3-(4-nitrophenyl)carbonyl-2,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl 4,4-dimethyl-3-(4-nitrophenyl)carbonyl-2,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl 4,4-dimethyl-3-(4-nitrobenzoyl)-2,6-dioxo-cyclohexanecarboxylate CAS Name: 4,4-dimethyl-3-[(4-nitrophenyl)-oxomethyl]-2,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4,4-dimethyl-3-(4-nitrobenzoyl)-2,6-dioxocyclohexane-1-carboxylate Traditional Name: 2,6-diketo-4,4-dimethyl-3-(4-nitrobenzoyl)cyclohexanecarboxylic acid methyl ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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