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

Systemtic Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H13ClN4O3/c1-10-15(20-19-13-8-4-2-6-11(13)17(24)25)16(23)22(21-10)14-9-5-3-7-12(14)18/h2-9,15H,1H3,(H,24,25)