3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]acrylic acid Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=CC(=O)O)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=CC(=O)O)CCC#N)Br

InChI

InChI=1S/C15H12BrN3O2/c16-13-5-2-11(3-6-13)15-12(4-7-14(20)21)10-19(18-15)9-1-8-17/h2-7,10H,1,9H2,(H,20,21)