1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-cyanobenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-cyanobenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C18H13N3O3 MolecularWeight: 319.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O3/c1-11(24-18(23)13-8-6-12(10-19)7-9-13)16-20-15-5-3-2-4-14(15)17(22)21-16/h2-9,11H,1H3,(H,20,21,22)