methyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(3-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-cyanophenyl)acrylic acid methyl ester Formula: C13H11NO3 MolecularWeight: 229.23134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO3/c1-9(15)12(13(16)17-2)7-10-4-3-5-11(6-10)8-14/h3-7H,1-2H3/b12-7+