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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-but-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

C/C=C/C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C15H13N3O3/c1-2-5-14(19)21-10-13-17-12-7-4-3-6-11(12)15(20)18(13)9-8-16/h2-7H,9-10H2,1H3/b5-2+