2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethyl]isoindoline-1,3-quinone Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S/c24-19-15-5-1-2-6-16(15)20(25)22(19)11-12-30-18-8-7-14(13-17(18)23(26)27)31(28,29)21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2