4-[(1E,3E,5E)-7-(1-benzofuran-2-yl)-6-cyano-7-oxidanylidene-hepta-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(1E,3E,5E)-7-(1-benzofuran-2-yl)-6-cyano-7-oxidanylidene-hepta-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1E,3E,5E)-7-(benzofuran-2-yl)-6-cyano-7-oxo-hepta-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1E,3E,5E)-7-(2-benzofuranyl)-6-cyano-7-oxohepta-1,3,5-trienyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1E,3E,5E)-7-(1-benzofuran-2-yl)-6-cyano-7-oxohepta-1,3,5-trienyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1E,3E,5E)-7-(benzofuran-2-yl)-6-cyano-7-keto-hepta-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C26H18N3O3- MolecularWeight: 420.43942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC=CC=C(C#N)C(=O)C2=CC3=CC=CC=C3O2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C=C/C=C(\C#N)/C(=O)C2=CC3=CC=CC=C3O2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H19N3O3/c1-18-22(26(31)29(28-18)21-12-5-3-6-13-21)14-7-2-4-11-20(17-27)25(30)24-16-19-10-8-9-15-23(19)32-24/h2-16,31H,1H3/p-1/b4-2+,14-7+,20-11+