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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-chloranylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12ClN3O3 MolecularWeight: 353.75918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O3/c19-13-7-5-12(6-8-13)18(24)25-11-16-21-15-4-2-1-3-14(15)17(23)22(16)10-9-20/h1-8H,10-11H2