5-nitro-2-[5-[(phenylmethyl)-propyl-amino]pentyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[5-[(phenylmethyl)-propyl-amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[benzyl(propyl)amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[5-[(phenylmethyl)-propylamino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[benzyl(propyl)amino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[benzyl(propyl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-2-13-24(17-18-9-5-3-6-10-18)14-7-4-8-15-25-22(27)20-12-11-19(26(29)30)16-21(20)23(25)28/h3,5-6,9-12,16H,2,4,7-8,13-15,17H2,1H3