2-[(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzoic acid Openeye Name: 2-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]benzoic acid CAS Name: 2-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]benzoic acid IUPAC Name: 2-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]benzoic acid Traditional Name: 2-[(6-bromo-4-keto-1H-quinazolin-2-yl)methyl]benzoic acid Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C16H11BrN2O3/c17-10-5-6-13-12(8-10)15(20)19-14(18-13)7-9-3-1-2-4-11(9)16(21)22/h1-6,8H,7H2,(H,21,22)(H,18,19,20)