4-ethyl-2-[5-[(2-methylphenyl)methylamino]pentyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 4-ethyl-2-[5-[(2-methylphenyl)methylamino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 4-ethyl-5-nitro-2-[5-(o-tolylmethylamino)pentyl]isoindoline-1,3-dione CAS Name: 4-ethyl-2-[5-[(2-methylphenyl)methylamino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 4-ethyl-2-[5-[(2-methylphenyl)methylamino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 4-ethyl-2-[5-[(2-methylbenzyl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC=CC=C3C)[N+](=O)[O-]

InChI

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