4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2-oxidanyl-benzoate

Systemtic Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2-oxidanyl-benzoate Openeye Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-2-hydroxy-benzoate CAS Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-2-hydroxybenzoate IUPAC Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-hydroxybenzoate Traditional Name: 2-hydroxy-4-[(N'E)-N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C17H11N6O6S- MolecularWeight: 427.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC(=C(C=C3)C(=O)[O-])O)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C\2=NN(C(=O)/C2=N/NC3=CC(=C(C=C3)C(=O)[O-])O)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O6S/c18-17(30)22-15(25)14(13(21-22)8-1-4-10(5-2-8)23(28)29)20-19-9-3-6-11(16(26)27)12(24)7-9/h1-7,19,24H,(H2,18,30)(H,26,27)/p-1/b20-14+