4-bromanyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzoic acid

Systemtic Name: 4-bromanyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzoic acid Openeye Name: 4-bromo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid CAS Name: 4-bromo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid IUPAC Name: 4-bromo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid Traditional Name: 4-bromo-2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]benzoic acid Formula: C15H10BrN3O3 MolecularWeight: 360.1622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O3/c16-10-5-6-11(15(21)22)9(7-10)8-19-14(20)12-3-1-2-4-13(12)17-18-19/h1-7H,8H2,(H,21,22)