(E)-2-cyano-3-(4-pyrazol-1-ylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-pyrazol-1-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-pyrazol-1-ylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-pyrazol-1-ylphenyl)acrylic acid Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C13H9N3O2/c14-9-11(13(17)18)8-10-2-4-12(5-3-10)16-7-1-6-15-16/h1-8H,(H,17,18)/b11-8+