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

Systemtic Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(diethylamino)propoxy]phenyl]methanone Openeye Name: (2-butyl-5-nitro-benzofuran-3-yl)-[4-[3-(diethylamino)propoxy]phenyl]methanone CAS Name: (2-butyl-5-nitro-3-benzofuranyl)-[4-[3-(diethylamino)propoxy]phenyl]methanone IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(diethylamino)propoxy]phenyl]methanone Traditional Name: (2-butyl-5-nitro-benzofuran-3-yl)-[4-[3-(diethylamino)propoxy]phenyl]methanone Formula: C26H32N2O5 MolecularWeight: 452.54268

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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(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5/c1-4-7-9-24-25(22-18-20(28(30)31)12-15-23(22)33-24)26(29)19-10-13-21(14-11-19)32-17-8-16-27(5-2)6-3/h10-15,18H,4-9,16-17H2,1-3H3