dimethyl 2-(3-nitrophenyl)-4-oxidanylidene-cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 2-(3-nitrophenyl)-4-oxidanylidene-cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 2-(3-nitrophenyl)-4-oxo-cyclohexane-1,1-dicarboxylate CAS Name: 2-(3-nitrophenyl)-4-oxocyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-nitrophenyl)-4-oxocyclohexane-1,1-dicarboxylate Traditional Name: 4-keto-2-(3-nitrophenyl)cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)CC1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC(=O)CC1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17NO7/c1-23-14(19)16(15(20)24-2)7-6-12(18)9-13(16)10-4-3-5-11(8-10)17(21)22/h3-5,8,13H,6-7,9H2,1-2H3