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

Systemtic Name: 4-ethyl-2-[5-(naphthalen-1-ylmethylamino)pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 4-ethyl-2-[5-(1-naphthylmethylamino)pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 4-ethyl-2-[5-(1-naphthalenylmethylamino)pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 4-ethyl-2-[5-(naphthalen-1-ylmethylamino)pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 4-ethyl-2-[5-(1-naphthylmethylamino)pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4/c1-2-20-23(29(32)33)14-13-22-24(20)26(31)28(25(22)30)16-7-3-6-15-27-17-19-11-8-10-18-9-4-5-12-21(18)19/h4-5,8-14,27H,2-3,6-7,15-17H2,1H3