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

Systemtic Name: 2-methoxy-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C=CC1=O

InChI

InChI=1S/C18H20N4O6S/c1-28-18-10-13(4-7-17(18)23)12-19-20-15-6-5-14(11-16(15)22(24)25)29(26,27)21-8-2-3-9-21/h4-7,10-12,19-20H,2-3,8-9H2,1H3