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

Systemtic Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid IUPAC Name: 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid Formula: C19H12BrN3O2 MolecularWeight: 394.22148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=C(C#N)C(=O)O

InChI

InChI=1S/C19H12BrN3O2/c20-16-8-6-13(7-9-16)18-15(10-14(11-21)19(24)25)12-23(22-18)17-4-2-1-3-5-17/h1-10,12H,(H,24,25)