4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC(=O)C=C3O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC(=O)C=C3O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c22-13-4-3-12(17(23)9-13)11-18-19-15-6-5-14(10-16(15)21(24)25)28(26,27)20-7-1-2-8-20/h3-6,9-11,18-19,23H,1-2,7-8H2