4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoate Openeye Name: 4-(4-cyanophenyl)-2-methyl-4-oxo-butanoate CAS Name: 4-(4-cyanophenyl)-2-methyl-4-oxobutanoate IUPAC Name: 4-(4-cyanophenyl)-2-methyl-4-oxobutanoate Traditional Name: 4-(4-cyanophenyl)-4-keto-2-methyl-butyrate Formula: C12H10NO3- MolecularWeight: 216.2127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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