3-[(4E)-4-[[2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[[2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[2-(2-amino-2-oxo-ethoxy)phenyl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[2-(2-amino-2-oxoethoxy)phenyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[2-(2-amino-2-oxoethoxy)phenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[2-(2-amino-2-keto-ethoxy)benzylidene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CC=C3OCC(=O)N)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/C3=CC=CC=C3OCC(=O)N)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H19N3O5/c26-22(29)15-33-21-12-5-4-9-17(21)14-20-23(16-7-2-1-3-8-16)27-28(24(20)30)19-11-6-10-18(13-19)25(31)32/h1-14H,15H2,(H2,26,29)(H,31,32)/b20-14+