4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid

Systemtic Name: 4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid Openeye Name: 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid CAS Name: 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid IUPAC Name: 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoic acid Traditional Name: 4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]benzoic acid Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H24N4O4/c1-17-23(26(33)31(29-17)21-9-5-3-6-10-21)25(19-13-15-20(16-14-19)28(35)36)24-18(2)30-32(27(24)34)22-11-7-4-8-12-22/h3-16,25,29-30H,1-2H3,(H,35,36)