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

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2-bromo-4-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(2-bromo-4-methylphenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2-bromo-4-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2-bromo-4-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C14H15BrN2O3 MolecularWeight: 339.1845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3/c1-9-4-5-12(11(15)7-9)17-8-10(3-2-6-18)13(16-17)14(19)20/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20)