diethyl 2-acetamido-2-[2-(2-nitro-3-oxidanyl-phenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(2-nitro-3-oxidanyl-phenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(3-hydroxy-2-nitro-phenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(3-hydroxy-2-nitrophenyl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(3-hydroxy-2-nitrophenyl)-2-oxoethyl]propanedioate Traditional Name: 2-acetamido-2-[2-(3-hydroxy-2-nitro-phenyl)-2-keto-ethyl]malonic acid diethyl ester Formula: C17H20N2O9 MolecularWeight: 396.3487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O9/c1-4-27-15(23)17(18-10(3)20,16(24)28-5-2)9-13(22)11-7-6-8-12(21)14(11)19(25)26/h6-8,21H,4-5,9H2,1-3H3,(H,18,20)