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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(O1)C=CC(=C2C(=O)C3=CC(=CC=C3)OCCCN(CCCC)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(O1)C=CC(=C2C(=O)C3=CC(=CC=C3)OCCCN(CCCC)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C30H40N2O5/c1-4-7-13-25-22-26-28(37-25)16-15-27(32(34)35)29(26)30(33)23-12-10-14-24(21-23)36-20-11-19-31(17-8-5-2)18-9-6-3/h10,12,14-16,21-22H,4-9,11,13,17-20H2,1-3H3