1-(5-bromanyl-2-methyl-phenyl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)benzotriazole-5-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)benzotriazole-5-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)benzotriazole-5-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)benzotriazole-5-carboxylic acid Formula: C14H10BrN3O2 MolecularWeight: 332.1521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N2C3=C(C=C(C=C3)C(=O)O)N=N2

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N2C3=C(C=C(C=C3)C(=O)O)N=N2

InChI

InChI=1S/C14H10BrN3O2/c1-8-2-4-10(15)7-13(8)18-12-5-3-9(14(19)20)6-11(12)16-17-18/h2-7H,1H3,(H,19,20)