1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-phenyl]pyrrolidine

Systemtic Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-phenyl]pyrrolidine Openeye Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-phenyl]pyrrolidine CAS Name: 1-[2-nitro-4-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylphenyl]pyrrolidine IUPAC Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine Traditional Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidino-phenyl)sulfonyl-phenyl]pyrrolidine Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c25-23(26)19-13-15(5-7-17(19)21-9-1-2-10-21)31(29,30)16-6-8-18(20(14-16)24(27)28)22-11-3-4-12-22/h5-8,13-14H,1-4,9-12H2