2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[[(2R)-2-p-phenetylpyrrolidino]methyl]isoindoline-1,3-quinone Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-29-15-10-8-14(9-11-15)17-7-4-12-22(17)13-23-20(25)16-5-3-6-18(24(27)28)19(16)21(23)26/h3,5-6,8-11,17H,2,4,7,12-13H2,1H3/t17-/m1/s1