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

Systemtic Name: 2-[5-[ethyl-(phenylmethyl)amino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[5-[benzyl(ethyl)amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-[ethyl-(phenylmethyl)amino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[5-[benzyl(ethyl)amino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[benzyl(ethyl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-2-23(16-17-9-5-3-6-10-17)13-7-4-8-14-24-21(26)19-12-11-18(25(28)29)15-20(19)22(24)27/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3