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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-cyanophenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H14N4O4 MolecularWeight: 374.34956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)COC3=CC=C(C=C3)C#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)COC3=CC=C(C=C3)C#N)CC#N

InChI

InChI=1S/C20H14N4O4/c21-9-10-24-18(23-17-4-2-1-3-16(17)20(24)26)12-28-19(25)13-27-15-7-5-14(11-22)6-8-15/h1-8H,10,12-13H2