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

Systemtic Name: 2-[5-[ethyl-[(2-methylphenyl)methyl]amino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[5-[ethyl(o-tolylmethyl)amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-[ethyl-[(2-methylphenyl)methyl]amino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[5-[ethyl-[(2-methylphenyl)methyl]amino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[ethyl-(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:

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3C

Isomeric SMILES

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3C

InChI

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