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

Systemtic Name: 4-(3-acetyloxy-4-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-acetoxy-4-nitro-phenyl)-3-methyl-4-oxo-butanoic acid CAS Name: 4-(3-acetyloxy-4-nitrophenyl)-3-methyl-4-oxobutanoic acid IUPAC Name: 4-(3-acetyloxy-4-nitrophenyl)-3-methyl-4-oxobutanoic acid Traditional Name: 4-(3-acetoxy-4-nitro-phenyl)-4-keto-3-methyl-butyric acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-7(5-12(16)17)13(18)9-3-4-10(14(19)20)11(6-9)21-8(2)15/h3-4,6-7H,5H2,1-2H3,(H,16,17)