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

Systemtic Name: [4-(2-bromoethyloxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Openeye Name: [4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone CAS Name: [4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-3-benzofuranyl)methanone IUPAC Name: [4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Traditional Name: [4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone Formula: C21H20BrNO5 MolecularWeight: 446.2912

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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)OCCBr

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO5/c1-2-3-4-19-20(17-13-15(23(25)26)7-10-18(17)28-19)21(24)14-5-8-16(9-6-14)27-12-11-22/h5-10,13H,2-4,11-12H2,1H3