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

Systemtic Name: sodium 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-nitro-phenolate Openeye Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-nitro-phenolate CAS Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-nitrophenolate IUPAC Name: sodium 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-nitrophenolate Traditional Name: sodium 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4-nitro-phenolate Formula: C16H12N5NaO4 MolecularWeight: 361.28735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H13N5O4.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h2-9,15,22H,1H3;/q;+1/p-1