[4-(cyanomethyl)phenyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [4-(cyanomethyl)phenyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [4-(cyanomethyl)phenyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [4-(cyanomethyl)phenyl] ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H13N3O3/c19-10-9-13-5-7-14(8-6-13)24-17(22)11-21-12-20-16-4-2-1-3-15(16)18(21)23/h1-8,12H,9,11H2