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

Systemtic Name: (E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-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(=C1)Br)C2=NN(C=C2C=CC(=O)O)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O2/c16-13-4-1-3-11(9-13)15-12(5-6-14(20)21)10-19(18-15)8-2-7-17/h1,3-6,9-10H,2,8H2,(H,20,21)/b6-5+