2-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c1-31-13-8-9-18(32-2)15(11-13)16-7-4-10-23(16)19(26)12-24-21(27)14-5-3-6-17(25(29)30)20(14)22(24)28/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3