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

Systemtic Name: 2-[5-[ethyl(naphthalen-1-ylmethyl)amino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[5-[ethyl(1-naphthylmethyl)amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-[ethyl(1-naphthalenylmethyl)amino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[5-[ethyl(naphthalen-1-ylmethyl)amino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[ethyl(1-naphthylmethyl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C26H27N3O4 MolecularWeight: 445.51028

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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=CC4=CC=CC=C43

Isomeric SMILES

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

InChI

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