sodium 5-azanyl-2-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]benzoate

Systemtic Name: sodium 5-azanyl-2-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]benzoate Openeye Name: sodium 5-amino-2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]benzoate CAS Name: sodium 5-amino-2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]benzoate IUPAC Name: sodium 5-amino-2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]benzoate Traditional Name: sodium 5-amino-2-[(3-keto-5-methyl-2-pyrazolin-4-yl)azo]benzoate Formula: C11H10N5NaO3 MolecularWeight: 283.21857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1N=NC2=C(C=C(C=C2)N)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NNC(=O)C1N=NC2=C(C=C(C=C2)N)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H11N5O3.Na/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19;/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1