[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl)OC

InChI

InChI=1S/C20H16ClN3O5/c1-27-16-10-12(9-14(21)18(16)28-2)20(26)29-11-17-23-15-6-4-3-5-13(15)19(25)24(17)8-7-22/h3-6,9-10H,8,11H2,1-2H3