4-[2-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[5-keto-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-4-ylidene]hydrazino]besylic acid Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-6-12-18(13-7-15)33(30,31)32)19(14-4-2-1-3-5-14)24-25(21)16-8-10-17(11-9-16)26(28)29/h1-13,22H,(H,30,31,32)