2-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(4-bromo-3-methyl-phenyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(4-bromo-3-methylphenyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(4-bromo-3-methylphenyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(4-bromo-3-methyl-phenyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C16H10BrN2O3- MolecularWeight: 358.1662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C16H11BrN2O3/c1-8-6-9(3-5-12(8)17)14-18-13-7-10(16(21)22)2-4-11(13)15(20)19-14/h2-7H,1H3,(H,21,22)(H,18,19,20)/p-1