4-nitro-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H15N3O5S/c22-15(19-8-2-6-12(19)14-7-3-9-27-14)10-20-17(23)11-4-1-5-13(21(25)26)16(11)18(20)24/h1,3-5,7,9,12H,2,6,8,10H2