1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2,6-dibromo-4-methyl-phenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2,6-dibromo-4-methyl-phenyl)triazole-4-carboxylic acid Formula: C13H11Br2N3O2 MolecularWeight: 401.05334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N2C(=C(N=N2)C(=O)O)C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N2C(=C(N=N2)C(=O)O)C3CC3)Br

InChI

InChI=1S/C13H11Br2N3O2/c1-6-4-8(14)12(9(15)5-6)18-11(7-2-3-7)10(13(19)20)16-17-18/h4-5,7H,2-3H2,1H3,(H,19,20)