2-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitro-isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitro-isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-[benzyl(methyl)amino]butyl]-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitroisoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-[benzyl(methyl)amino]butyl]-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-[4-[benzyl(methyl)amino]butyl]-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

CN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H21N3O4.ClH/c1-21(14-15-7-3-2-4-8-15)11-5-6-12-22-19(24)17-10-9-16(23(26)27)13-18(17)20(22)25;/h2-4,7-10,13H,5-6,11-12,14H2,1H3;1H