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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-bromanylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CC=C3Br)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CC=C3Br)CC#N

InChI

InChI=1S/C18H12BrN3O3/c19-14-7-3-1-5-12(14)18(24)25-11-16-21-15-8-4-2-6-13(15)17(23)22(16)10-9-20/h1-8H,10-11H2