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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-bromophenyl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)Br)CC#N

InChI

InChI=1S/C19H14BrN3O3/c20-14-7-5-13(6-8-14)11-18(24)26-12-17-22-16-4-2-1-3-15(16)19(25)23(17)10-9-21/h1-8H,10-12H2