2-[6-[methyl-(phenylmethyl)amino]hexyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[6-[methyl-(phenylmethyl)amino]hexyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[6-[benzyl(methyl)amino]hexyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[6-[methyl-(phenylmethyl)amino]hexyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[6-[benzyl(methyl)amino]hexyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[6-[benzyl(methyl)amino]hexyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN(CCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-23(16-17-9-5-4-6-10-17)13-7-2-3-8-14-24-21(26)19-12-11-18(25(28)29)15-20(19)22(24)27/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3