4-[(Z)-[3-methyl-5-oxidanylidene-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-methyl-5-oxidanylidene-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4-pyrazolylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[5-keto-3-methyl-1-(4-sulfamoylphenyl)-2-pyrazolin-4-ylidene]methyl]-2-nitro-phenolate Formula: C17H13N4O6S- MolecularWeight: 401.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14N4O6S/c1-10-14(8-11-2-7-16(22)15(9-11)21(24)25)17(23)20(19-10)12-3-5-13(6-4-12)28(18,26)27/h2-9,22H,1H3,(H2,18,26,27)/p-1/b14-8-