1-(4-bromanyl-3-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)-4-(2-hydroxyethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3/c1-8-6-10(2-3-11(8)14)16-7-9(4-5-17)12(15-16)13(18)19/h2-3,6-7,17H,4-5H2,1H3,(H,18,19)