[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H17N3O3/c1-15-5-4-6-16(13-15)9-10-20(25)27-14-19-23-18-8-3-2-7-17(18)21(26)24(19)12-11-22/h2-10,13H,12,14H2,1H3/b10-9+