3,3-dimethyl-4-(3-nitrophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3,3-dimethyl-4-(3-nitrophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3,3-dimethyl-4-(3-nitrophenyl)-4-oxo-butanoic acid CAS Name: 3,3-dimethyl-4-(3-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 3,3-dimethyl-4-(3-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3,3-dimethyl-4-(3-nitrophenyl)butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-12(2,7-10(14)15)11(16)8-4-3-5-9(6-8)13(17)18/h3-6H,7H2,1-2H3,(H,14,15)