sodium (2Z)-2-[(5-nitro-3-oxidanidylperoxysulfanyl-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: sodium (2Z)-2-[(5-nitro-3-oxidanidylperoxysulfanyl-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: sodium (2Z)-2-[(2-hydroxy-5-nitro-3-oxidoperoxysulfanyl-phenyl)hydrazono]-3-oxo-N-phenyl-butanamide CAS Name: sodium 3-[(2Z)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfenic acid oxidooxy ester IUPAC Name: sodium (2Z)-2-[(2-hydroxy-5-nitro-3-oxidoperoxysulfanylphenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide Traditional Name: sodium (2Z)-2-[[2-hydroxy-5-nitro-3-(oxidoperoxythio)phenyl]hydrazono]-3-keto-N-phenyl-butyramide Formula: C16H13N4NaO8S MolecularWeight: 444.35119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC(=C1O)SOO[O-])[N+](=O)[O-])C(=O)NC2=CC=CC=C2.[Na+]

Isomeric SMILES

CC(=O)/C(=N/NC1=CC(=CC(=C1O)SOO[O-])[N+](=O)[O-])/C(=O)NC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H14N4O8S.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29-28-27-26;/h2-8,18,22,26H,1H3,(H,17,23);/q;+1/p-1/b19-14-;