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

Systemtic Name: 2-methoxy-4-[(Z)-[3-methyl-5-oxidanylidene-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4-pyrazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 4-[(Z)-[5-keto-3-methyl-1-(4-sulfamoylphenyl)-2-pyrazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H15N4O7S- MolecularWeight: 431.3993

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H16N4O7S/c1-10-14(7-11-8-15(22(25)26)17(23)16(9-11)29-2)18(24)21(20-10)12-3-5-13(6-4-12)30(19,27)28/h3-9,23H,1-2H3,(H2,19,27,28)/p-1/b14-7-