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

Systemtic Name: 2-[[1-(2-ethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(2-ethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N4O3/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26/h4-11,17H,3H2,1-2H3,(H,25,26)