2-(methylamino)-4-[3-(methylamino)-5-nitro-4-oxidanyl-phenyl]sulfanyl-6-nitro-phenol

Systemtic Name: 2-(methylamino)-4-[3-(methylamino)-5-nitro-4-oxidanyl-phenyl]sulfanyl-6-nitro-phenol Openeye Name: 4-[4-hydroxy-3-(methylamino)-5-nitro-phenyl]sulfanyl-2-(methylamino)-6-nitro-phenol CAS Name: 4-[[4-hydroxy-3-(methylamino)-5-nitrophenyl]thio]-2-(methylamino)-6-nitrophenol IUPAC Name: 4-[4-hydroxy-3-(methylamino)-5-nitrophenyl]sulfanyl-2-(methylamino)-6-nitrophenol Traditional Name: 4-[[4-hydroxy-3-(methylamino)-5-nitro-phenyl]thio]-2-(methylamino)-6-nitro-phenol Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC(=C1O)[N+](=O)[O-])SC2=CC(=C(C(=C2)NC)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=CC(=CC(=C1O)[N+](=O)[O-])SC2=CC(=C(C(=C2)NC)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6S/c1-15-9-3-7(5-11(13(9)19)17(21)22)25-8-4-10(16-2)14(20)12(6-8)18(23)24/h3-6,15-16,19-20H,1-2H3