[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-1,2-oxazole-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-methylisoxazole-3-carboxylate CAS Name: 5-methyl-3-isoxazolecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 5-methylisoxazole-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC(=NO1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H12N4O4/c1-10-8-13(19-24-10)16(22)23-9-14-18-12-5-3-2-4-11(12)15(21)20(14)7-6-17/h2-5,8H,7,9H2,1H3