3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Openeye Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Formula: C13H10BrN3O2 MolecularWeight: 320.1414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=C2C(=O)O)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=C2C(=O)O)CCC#N

InChI

InChI=1S/C13H10BrN3O2/c14-10-4-1-3-9(7-10)12-11(13(18)19)8-17(16-12)6-2-5-15/h1,3-4,7-8H,2,6H2,(H,18,19)