3-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)pyrazol-4-ylidene]methylamino]-5-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)pyrazol-4-ylidene]methylamino]-5-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-3-[[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]methylamino]-5-nitro-benzenesulfonic acid CAS Name: 2-hydroxy-3-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4-pyrazolylidene]methylamino]-5-nitrobenzenesulfonic acid IUPAC Name: 2-hydroxy-3-[[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]methylamino]-5-nitrobenzenesulfonic acid Traditional Name: 2-hydroxy-3-[[5-keto-3-methyl-1-(3-sulfophenyl)-2-pyrazolin-4-ylidene]methylamino]-5-nitro-besylic acid Formula: C17H14N4O10S2 MolecularWeight: 498.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=CC(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O10S2/c1-9-13(17(23)20(19-9)10-3-2-4-12(5-10)32(26,27)28)8-18-14-6-11(21(24)25)7-15(16(14)22)33(29,30)31/h2-8,18,22H,1H3,(H,26,27,28)(H,29,30,31)