2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-(2-pyrrolidinobenzyl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-22(13-15-6-2-3-7-19(15)23-10-4-5-11-23)14-24-20(26)17-9-8-16(25(28)29)12-18(17)21(24)27/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3