4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C28H18N4O4 MolecularWeight: 474.46692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C(\C#N)/C(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H18N4O4/c29-16-20(27(33)30-22-12-10-18(11-13-22)28(34)35)14-21-17-32(23-7-2-1-3-8-23)31-26(21)25-15-19-6-4-5-9-24(19)36-25/h1-15,17H,(H,30,33)(H,34,35)/b20-14+