[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12ClN3O4 MolecularWeight: 369.75858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O4/c19-11-5-6-13(15(23)9-11)18(25)26-10-16-21-14-4-2-1-3-12(14)17(24)22(16)8-7-20/h1-6,9,23H,8,10H2