ethyl 2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(4-nitrobenzoyl)-3-oxo-butanoate CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrobenzoyl)-3-oxobutanoate Traditional Name: 3-keto-2-(4-nitrobenzoyl)butyric acid ethyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-3-20-13(17)11(8(2)15)12(16)9-4-6-10(7-5-9)14(18)19/h4-7,11H,3H2,1-2H3