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

Systemtic Name: 3-(diethylamino)-6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H27N5O5S/c1-3-24(4-2)17-8-7-16(21(27)13-17)15-22-23-19-10-9-18(14-20(19)26(28)29)32(30,31)25-11-5-6-12-25/h7-10,13-15,22-23H,3-6,11-12H2,1-2H3