[(2,4-dinitrophenyl)-(6-oxidanylidenehexyl)amino] 1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: [(2,4-dinitrophenyl)-(6-oxidanylidenehexyl)amino] 1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: [2,4-dinitro-N-(6-oxohexyl)anilino] 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: 1-hydroxy-2,5-dioxo-3-pyrrolidinesulfonic acid [2,4-dinitro-N-(6-oxohexyl)anilino] ester IUPAC Name: [2,4-dinitro-N-(6-oxohexyl)anilino] 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: 1-hydroxy-2,5-diketo-pyrrolidine-3-sulfonic acid [N-(6-ketohexyl)-2,4-dinitro-anilino] ester Formula: C16H18N4O11S MolecularWeight: 474.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)O)S(=O)(=O)ON(CCCCCC=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)N(C1=O)O)S(=O)(=O)ON(CCCCCC=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O11S/c21-8-4-2-1-3-7-17(12-6-5-11(19(25)26)9-13(12)20(27)28)31-32(29,30)14-10-15(22)18(24)16(14)23/h5-6,8-9,14,24H,1-4,7,10H2