2,6-dimethyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethyl-4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethyl-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-dimethyl-4-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=C(C1=O)C

InChI

InChI=1S/C19H22N4O5S/c1-13-9-15(10-14(2)19(13)24)12-20-21-17-6-5-16(11-18(17)23(25)26)29(27,28)22-7-3-4-8-22/h5-6,9-12,20-21H,3-4,7-8H2,1-2H3