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

Systemtic Name: 2-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21N3O6/c1-12-8-16(28-3)17(29-4)9-13(12)10-21(2)11-22-19(24)14-6-5-7-15(23(26)27)18(14)20(22)25/h5-9H,10-11H2,1-4H3