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

Systemtic Name: 4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H18N4O5S MolecularWeight: 390.41362

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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=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c22-14-5-3-13(4-6-14)12-18-19-16-8-7-15(11-17(16)21(23)24)27(25,26)20-9-1-2-10-20/h3-8,11-12,18-19H,1-2,9-10H2