4-[(4E)-4-[[3-methoxy-4-(phenylcarbonyl)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[3-methoxy-4-(phenylcarbonyl)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-benzoyl-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-benzoyl-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-benzoyl-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-benzoyl-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20N2O5/c1-16-22(25(30)28(27-16)20-11-9-19(10-12-20)26(31)32)14-17-8-13-21(23(15-17)33-2)24(29)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,31,32)/b22-14+