(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

Systemtic Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Openeye Name: (2-butyl-5-nitro-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone CAS Name: (2-butyl-5-nitro-3-benzofuranyl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Traditional Name: (2-butyl-5-nitro-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Formula: C30H40N2O5 MolecularWeight: 508.649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

InChI

InChI=1S/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3