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

Systemtic Name: 1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2,6-dichloro-3-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-cyclopropyl-1-(2,6-dichloro-3-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-cyclopropyl-1-(2,6-dichloro-3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2,6-dichloro-3-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H11Cl2N3O2 MolecularWeight: 312.15134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)N2C(=NC(=N2)C(=O)O)C3CC3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)N2C(=NC(=N2)C(=O)O)C3CC3)Cl

InChI

InChI=1S/C13H11Cl2N3O2/c1-6-2-5-8(14)10(9(6)15)18-12(7-3-4-7)16-11(17-18)13(19)20/h2,5,7H,3-4H2,1H3,(H,19,20)