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

Systemtic Name: sodium 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate Openeye Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoate CAS Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoate IUPAC Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate Traditional Name: sodium 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]benzoate Formula: C17H13N4NaO3 MolecularWeight: 344.29989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3.Na/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2-10,15H,1H3,(H,23,24);/q;+1/p-1