3-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-[[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]hydrazono]-5-nitro-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-keto-3-[[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]hydrazono]-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C17H15N5O7S MolecularWeight: 433.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C17H15N5O7S/c1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26/h3-8,19-20H,1-2H3,(H,27,28,29)