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

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C14H14Br2N2O3 MolecularWeight: 418.08056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14Br2N2O3/c1-8-5-10(15)13(11(16)6-8)18-7-9(3-2-4-19)12(17-18)14(20)21/h5-7,19H,2-4H2,1H3,(H,20,21)