diethyl 2-ethyl-2-[3-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]propanedioate

Systemtic Name: diethyl 2-ethyl-2-[3-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]propanedioate Openeye Name: diethyl 2-ethyl-2-[3-(4-nitroanilino)-3-oxo-propyl]propanedioate CAS Name: 2-ethyl-2-[3-(4-nitroanilino)-3-oxopropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-ethyl-2-[3-(4-nitroanilino)-3-oxopropyl]propanedioate Traditional Name: 2-ethyl-2-[3-keto-3-(4-nitroanilino)propyl]malonic acid diethyl ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H24N2O7/c1-4-18(16(22)26-5-2,17(23)27-6-3)12-11-15(21)19-13-7-9-14(10-8-13)20(24)25/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)