3-methyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-(4-nitrophenyl)-4-oxo-butanoic acid CAS Name: 3-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 3-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-(4-nitrophenyl)butyric acid Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-7(6-10(13)14)11(15)8-2-4-9(5-3-8)12(16)17/h2-5,7H,6H2,1H3,(H,13,14)