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

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

Systemtic Name:2-[6-[ethyl-(phenylmethyl)amino]hexyl]-5-nitro-isoindole-1,3-dione
Openeye Name:2-[6-[benzyl(ethyl)amino]hexyl]-5-nitro-isoindoline-1,3-dione
CAS Name:2-[6-[ethyl-(phenylmethyl)amino]hexyl]-5-nitroisoindole-1,3-dione
IUPAC Name:2-[6-[benzyl(ethyl)amino]hexyl]-5-nitroisoindole-1,3-dione
Traditional Name:2-[6-[benzyl(ethyl)amino]hexyl]-5-nitro-isoindoline-1,3-quinone
Formula: C23H27N3O4
MolecularWeight: 409.47818
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H27N3O4/c1-2-24(17-18-10-6-5-7-11-18)14-8-3-4-9-15-25-22(27)20-13-12-19(26(29)30)16-21(20)23(25)28/h5-7,10-13,16H,2-4,8-9,14-15,17H2,1H3


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