diethyl 2-[(S)-(3-nitrophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate

Systemtic Name: diethyl 2-[(S)-(3-nitrophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: diethyl 2-[(S)-(3-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-(3-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(S)-(3-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(3-nitrophenyl)methyl]malonic acid diethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1CCCCC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7/c1-3-27-19(23)18(20(24)28-4-2)17(15-10-5-6-11-16(15)22)13-8-7-9-14(12-13)21(25)26/h7-9,12,15,17-18H,3-6,10-11H2,1-2H3/t15-,17+/m1/s1