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

Systemtic Name: (3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-5-nitro-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C16H13N5O7S MolecularWeight: 419.36872

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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

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

InChI

InChI=1S/C16H13N5O7S/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)/b17-12+