[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 3-cyanobenzoate

Systemtic Name: [6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 3-cyanobenzoate Openeye Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C17H9Br2N3O3 MolecularWeight: 463.07966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C#N

InChI

InChI=1S/C17H9Br2N3O3/c18-11-5-12-15(13(19)6-11)21-14(22-16(12)23)8-25-17(24)10-3-1-2-9(4-10)7-20/h1-6H,8H2,(H,21,22,23)