3-methyl-4-(4-nitro-3-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-(4-nitro-3-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-hydroxy-4-nitro-phenyl)-3-methyl-4-oxo-butanoic acid CAS Name: 4-(3-hydroxy-4-nitrophenyl)-3-methyl-4-oxobutanoic acid IUPAC Name: 4-(3-hydroxy-4-nitrophenyl)-3-methyl-4-oxobutanoic acid Traditional Name: 4-(3-hydroxy-4-nitro-phenyl)-4-keto-3-methyl-butyric acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-6(4-10(14)15)11(16)7-2-3-8(12(17)18)9(13)5-7/h2-3,5-6,13H,4H2,1H3,(H,14,15)