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

Systemtic Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate Openeye Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate CAS Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate IUPAC Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate Traditional Name: sodium 2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoate Formula: C17H12ClN4NaO3 MolecularWeight: 378.74495

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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.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3Cl.[Na+]

InChI

InChI=1S/C17H13ClN4O3.Na/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);/q;+1/p-1