3-[3-(1-benzofuran-2-yl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(benzofuran-2-yl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(2-benzofuranyl)-4-(2,2-dicyanoethenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(1-benzofuran-2-yl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(benzofuran-2-yl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propionic acid Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

InChI

InChI=1S/C18H12N4O3/c19-9-12(10-20)7-14-11-22(6-5-17(23)24)21-18(14)16-8-13-3-1-2-4-15(13)25-16/h1-4,7-8,11H,5-6H2,(H,23,24)