methyl (E)-4-(3-cyanophenyl)-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-4-(3-cyanophenyl)-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-(3-cyanophenyl)-2-oxo-but-3-enoate CAS Name: (E)-4-(3-cyanophenyl)-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(3-cyanophenyl)-2-oxobut-3-enoate Traditional Name: (E)-4-(3-cyanophenyl)-2-keto-but-3-enoic acid methyl ester Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=CC1=CC=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO3/c1-16-12(15)11(14)6-5-9-3-2-4-10(7-9)8-13/h2-7H,1H3/b6-5+