3-[(2E)-2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]hydrazino]benzoic acid CAS Name: 3-[(2E)-2-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]hydrazino]benzoic acid Formula: C25H18N4O3 MolecularWeight: 422.43542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O3/c30-25(31)18-8-6-9-20(13-18)27-26-15-19-16-29(21-10-2-1-3-11-21)28-24(19)23-14-17-7-4-5-12-22(17)32-23/h1-16,27H,(H,30,31)/b26-15+