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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzoic acid IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoic acid Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoic acid Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-17-23(26(33)31(29-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)28(35)36)24-18(2)30-32(27(24)34)20-13-7-4-8-14-20/h3-16,23H,1-2H3,(H,35,36)