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

Systemtic Name: 2-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(3,4-dichlorobenzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H13Cl2N3O4 MolecularWeight: 394.20882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N3O4/c1-20(8-10-5-6-12(18)13(19)7-10)9-21-16(23)11-3-2-4-14(22(25)26)15(11)17(21)24/h2-7H,8-9H2,1H3