2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2,4-dimethylbenzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O4/c1-12-7-8-14(13(2)9-12)10-20(3)11-21-18(23)15-5-4-6-16(22(25)26)17(15)19(21)24/h4-9H,10-11H2,1-3H3