3-cyano-3-(4-methoxyphenyl)-2-oxidanylidene-butanoic acid

Systemtic Name: 3-cyano-3-(4-methoxyphenyl)-2-oxidanylidene-butanoic acid Openeye Name: 3-cyano-3-(4-methoxyphenyl)-2-oxo-butanoic acid CAS Name: 3-cyano-3-(4-methoxyphenyl)-2-oxobutanoic acid IUPAC Name: 3-cyano-3-(4-methoxyphenyl)-2-oxobutanoic acid Traditional Name: 3-cyano-2-keto-3-(4-methoxyphenyl)butyric acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-12(7-13,10(14)11(15)16)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,15,16)