(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-cyanobenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-cyanobenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C17H10ClN3O3 MolecularWeight: 339.7326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H10ClN3O3/c18-12-5-6-13-14(7-12)20-15(21-16(13)22)9-24-17(23)11-3-1-10(8-19)2-4-11/h1-7H,9H2,(H,20,21,22)