methyl 4-benzamido-2-cyano-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-benzamido-2-cyano-3-oxidanylidene-butanoate Openeye Name: methyl 4-benzamido-2-cyano-3-oxo-butanoate CAS Name: 4-benzamido-2-cyano-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-benzamido-2-cyano-3-oxobutanoate Traditional Name: 4-benzamido-2-cyano-3-keto-butyric acid methyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-19-13(18)10(7-14)11(16)8-15-12(17)9-5-3-2-4-6-9/h2-6,10H,8H2,1H3,(H,15,17)