1-[4-[3-(5-bromanyl-3-methyl-2-nitro-phenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[3-(5-bromanyl-3-methyl-2-nitro-phenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(5-bromo-3-methyl-2-nitro-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(5-bromo-3-methyl-2-nitrophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(5-bromo-3-methyl-2-nitrophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(5-bromo-3-methyl-2-nitro-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H24BrNO7 MolecularWeight: 482.32176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C(=CC(=C2)Br)C)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C(=CC(=C2)Br)C)[N+](=O)[O-])O

InChI

InChI=1S/C21H24BrNO7/c1-4-5-17-18(7-6-16(13(3)24)21(17)26)29-10-15(25)11-30-19-9-14(22)8-12(2)20(19)23(27)28/h6-9,15,25-26H,4-5,10-11H2,1-3H3