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

Systemtic Name: 1-[4-[3-(2-bromanyl-4-methyl-5-nitro-phenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(2-bromo-4-methyl-5-nitro-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(2-bromo-4-methyl-5-nitrophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(2-bromo-4-methyl-5-nitrophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(2-bromo-4-methyl-5-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=C(C(=C2)[N+](=O)[O-])C)Br)O

Isomeric SMILES

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

InChI

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