4-(3-cyanophenyl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-cyanophenyl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-cyanophenyl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-(3-cyanophenyl)-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(3-cyanophenyl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-(3-cyanophenyl)-4-keto-2-methyl-butyric acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC(=C1)C#N)C(=O)O

InChI

InChI=1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16)