1-(2-bromanyl-4-methyl-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-bromo-4-methyl-phenyl)-5-isopropyl-triazole-4-carboxylic acid CAS Name: 1-(2-bromo-4-methylphenyl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(2-bromo-4-methylphenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 1-(2-bromo-4-methyl-phenyl)-5-isopropyl-triazole-4-carboxylic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)O)C(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)O)C(C)C)Br

InChI

InChI=1S/C13H14BrN3O2/c1-7(2)12-11(13(18)19)15-16-17(12)10-5-4-8(3)6-9(10)14/h4-7H,1-3H3,(H,18,19)