2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoic acid Openeye Name: 2-(4-nitrobenzoyl)-3-oxo-butanoic acid CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-3-oxobutanoic acid IUPAC Name: 2-(4-nitrobenzoyl)-3-oxobutanoic acid Traditional Name: 3-keto-2-(4-nitrobenzoyl)butyric acid Formula: C11H9NO6 MolecularWeight: 251.19226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO6/c1-6(13)9(11(15)16)10(14)7-2-4-8(5-3-7)12(17)18/h2-5,9H,1H3,(H,15,16)