[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12ClN3O3 MolecularWeight: 353.75918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)Cl)CC#N

InChI

InChI=1S/C18H12ClN3O3/c19-13-5-3-4-12(10-13)18(24)25-11-16-21-15-7-2-1-6-14(15)17(23)22(16)9-8-20/h1-7,10H,9,11H2