4-[(3-methyl-5-phenyl-1-pyridin-3-ylcarbonyl-pyrazol-4-yl)diazenyl]benzoic acid

Systemtic Name: 4-[(3-methyl-5-phenyl-1-pyridin-3-ylcarbonyl-pyrazol-4-yl)diazenyl]benzoic acid Openeye Name: 4-[3-methyl-5-phenyl-1-(pyridine-3-carbonyl)pyrazol-4-yl]azobenzoic acid CAS Name: 4-[[3-methyl-1-[oxo(3-pyridinyl)methyl]-5-phenyl-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[3-methyl-5-phenyl-1-(pyridine-3-carbonyl)pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-(3-methyl-1-nicotinoyl-5-phenyl-pyrazol-4-yl)azobenzoic acid Formula: C23H17N5O3 MolecularWeight: 411.41278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H17N5O3/c1-15-20(26-25-19-11-9-17(10-12-19)23(30)31)21(16-6-3-2-4-7-16)28(27-15)22(29)18-8-5-13-24-14-18/h2-14H,1H3,(H,30,31)