N-butyl-N-[3-[(2-butyl-4-nitro-1-benzofuran-3-yl)oxy]propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-[(2-butyl-4-nitro-1-benzofuran-3-yl)oxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-(2-butyl-4-nitro-benzofuran-3-yl)oxypropyl]butan-1-amine CAS Name: N-butyl-N-[3-[(2-butyl-4-nitro-3-benzofuranyl)oxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[(2-butyl-4-nitro-1-benzofuran-3-yl)oxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-(2-butyl-4-nitro-benzofuran-3-yl)oxypropyl]amine Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2O1)[N+](=O)[O-])OCCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2O1)[N+](=O)[O-])OCCCN(CCCC)CCCC

InChI

InChI=1S/C23H36N2O4/c1-4-7-13-21-23(22-19(25(26)27)12-10-14-20(22)29-21)28-18-11-17-24(15-8-5-2)16-9-6-3/h10,12,14H,4-9,11,13,15-18H2,1-3H3