N-(4-fluoranyl-2-nitro-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C18H17FN4O8S MolecularWeight: 468.412983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O8S/c19-12-3-5-14(15(9-12)22(25)26)20-18(24)11-31-17-6-4-13(10-16(17)23(27)28)32(29,30)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,20,24)