2-[[3,5-dimethyl-2-(phenylcarbonyl)-3,4-dihydropyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[3,5-dimethyl-2-(phenylcarbonyl)-3,4-dihydropyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[(2-benzoyl-3,5-dimethyl-3,4-dihydropyrazol-4-yl)azo]benzoic acid CAS Name: 2-[(2-benzoyl-3,5-dimethyl-3,4-dihydropyrazol-4-yl)azo]benzoic acid IUPAC Name: 2-[(2-benzoyl-3,5-dimethyl-3,4-dihydropyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 2-[(1-benzoyl-3,5-dimethyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=NN1C(=O)C2=CC=CC=C2)C)N=NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1C(C(=NN1C(=O)C2=CC=CC=C2)C)N=NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N4O3/c1-12-17(21-20-16-11-7-6-10-15(16)19(25)26)13(2)23(22-12)18(24)14-8-4-3-5-9-14/h3-11,13,17H,1-2H3,(H,25,26)