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

Systemtic Name: 4-[(4E)-4-[[3-methoxy-4-(phenylcarbonyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-benzoyloxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-benzoyloxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-benzoyloxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-benzoyloxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H20N2O6 MolecularWeight: 456.4468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20N2O6/c1-16-21(24(29)28(27-16)20-11-9-18(10-12-20)25(30)31)14-17-8-13-22(23(15-17)33-2)34-26(32)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,30,31)/b21-14+