4-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylate Formula: C16H12N5O6S- MolecularWeight: 402.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-10-15(18-17-11-2-8-14(9-3-11)28(25,26)27)16(22)20(19-10)12-4-6-13(7-5-12)21(23)24/h2-9,17H,1H3,(H,25,26,27)/p-1/b18-15+