6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,4-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=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c22-17-6-2-1-5-13(17)12-18-19-15-8-7-14(11-16(15)21(23)24)27(25,26)20-9-3-4-10-20/h1-2,5-8,11-12,18-19H,3-4,9-10H2