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

Systemtic Name: 4-[1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinyl]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazino]ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinyl]ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[N'-(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazino]ethylidene]cyclohexa-2,5-dien-1-one Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-13(14-4-6-15(23)7-5-14)19-20-17-9-8-16(12-18(17)22(24)25)28(26,27)21-10-2-3-11-21/h4-9,12,19-20H,2-3,10-11H2,1H3