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

Systemtic Name: [4-(3-bromanylpropoxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Openeye Name: [4-(3-bromopropoxy)phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone CAS Name: [4-(3-bromopropoxy)phenyl]-(2-butyl-5-nitro-3-benzofuranyl)methanone IUPAC Name: [4-(3-bromopropoxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Traditional Name: [4-(3-bromopropoxy)phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone Formula: C22H22BrNO5 MolecularWeight: 460.31778

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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)OCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO5/c1-2-3-5-20-21(18-14-16(24(26)27)8-11-19(18)29-20)22(25)15-6-9-17(10-7-15)28-13-4-12-23/h6-11,14H,2-5,12-13H2,1H3