(4-butoxyphenyl)-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone

Systemtic Name: (4-butoxyphenyl)-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Openeye Name: (4-butoxyphenyl)-(2-butyl-5-nitro-benzofuran-3-yl)methanone CAS Name: (4-butoxyphenyl)-(2-butyl-5-nitro-3-benzofuranyl)methanone IUPAC Name: (4-butoxyphenyl)-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Traditional Name: (4-butoxyphenyl)-(2-butyl-5-nitro-benzofuran-3-yl)methanone Formula: C23H25NO5 MolecularWeight: 395.4483

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-5-7-21-22(19-15-17(24(26)27)10-13-20(19)29-21)23(25)16-8-11-18(12-9-16)28-14-6-4-2/h8-13,15H,3-7,14H2,1-2H3