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

Systemtic Name: 1-[4-[3-(2-bromanyl-4-methyl-5-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(2-bromo-4-methyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(2-bromo-4-methyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(2-bromo-4-methyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(2-bromo-4-methyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C21H24BrNO6/c1-4-6-16-19(8-7-15(14(3)24)21(16)25)28-9-5-10-29-20-12-18(23(26)27)13(2)11-17(20)22/h7-8,11-12,25H,4-6,9-10H2,1-3H3