1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(5-methyl-2-furyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(5-methyl-2-furanyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(5-methyl-2-furyl)pyrazole-4-carboxylic acid Formula: C15H11BrN2O3 MolecularWeight: 347.16344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H11BrN2O3/c1-9-5-6-13(21-9)14-12(15(19)20)8-18(17-14)11-4-2-3-10(16)7-11/h2-8H,1H3,(H,19,20)