dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(4-nitrophenyl)methyl]malonic acid dimethyl ester Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H21NO7/c1-25-17(21)16(18(22)26-2)15(13-5-3-4-6-14(13)20)11-7-9-12(10-8-11)19(23)24/h7-10,13,15-16H,3-6H2,1-2H3/t13-,15+/m1/s1