1-[2,6-bis(bromanyl)-4-methyl-phenyl]-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-4-(2-hydroxyethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Formula: C13H12Br2N2O3 MolecularWeight: 404.05398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Br2N2O3/c1-7-4-9(14)12(10(15)5-7)17-6-8(2-3-18)11(16-17)13(19)20/h4-6,18H,2-3H2,1H3,(H,19,20)