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

Systemtic Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]isoindoline-1,3-quinone Formula: C19H17N3O7S MolecularWeight: 431.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O7S/c23-18-14-5-1-2-6-15(14)19(24)21(18)12-29-17-8-7-13(11-16(17)22(25)26)30(27,28)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2