sodium (3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-5-nitro-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3E)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]-5-nitro-cyclohexa-1,5-diene-1-sulfonate Formula: C16H12N5NaO7S MolecularWeight: 441.35055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25;/h2-8,14,18H,1H3,(H,26,27,28);/q;+1/p-1/b17-12+;