2-methoxy-6-nitro-4-[(Z)-[5-oxidanylidene-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-[5-oxidanylidene-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(Z)-[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4-pyrazolylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenolate Traditional Name: 4-[(Z)-[5-keto-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H12F3N4O7S- MolecularWeight: 485.37069

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O7S/c1-32-14-8-9(7-13(15(14)26)25(28)29)6-12-16(18(19,20)21)23-24(17(12)27)10-2-4-11(5-3-10)33(22,30)31/h2-8,26H,1H3,(H2,22,30,31)/p-1/b12-6-