4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(p-tolyl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(p-tolyl)prop-1-enyl]benzoate Formula: C18H12NO3- MolecularWeight: 290.29278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C18H13NO3/c1-12-2-6-14(7-3-12)17(20)16(11-19)10-13-4-8-15(9-5-13)18(21)22/h2-10H,1H3,(H,21,22)/p-1/b16-10+