2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[(4-morpholinophenyl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[[4-(4-morpholinyl)phenyl]methyl]amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-(4-morpholinobenzyl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-22(13-15-2-4-16(5-3-15)23-8-10-30-11-9-23)14-24-20(26)18-7-6-17(25(28)29)12-19(18)21(24)27/h2-7,12H,8-11,13-14H2,1H3