diethyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-2-(propanoylamino)propanedioate

Systemtic Name: diethyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-2-(propanoylamino)propanedioate Openeye Name: diethyl 2-[2-(3-nitrophenyl)-2-oxo-ethyl]-2-(propanoylamino)propanedioate CAS Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]-2-(1-oxopropylamino)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(3-nitrophenyl)-2-oxoethyl]-2-(propanoylamino)propanedioate Traditional Name: 2-[2-keto-2-(3-nitrophenyl)ethyl]-2-propionamido-malonic acid diethyl ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(=O)NC(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H22N2O8/c1-4-15(22)19-18(16(23)27-5-2,17(24)28-6-3)11-14(21)12-8-7-9-13(10-12)20(25)26/h7-10H,4-6,11H2,1-3H3,(H,19,22)