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

Systemtic Name: 1-[4-[3-(4-chloranyl-2-methyl-5-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(4-chloro-2-methyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(4-chloro-2-methyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(4-chloro-2-methyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(4-chloro-2-methyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=C(C=C2C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=C(C=C2C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClNO6/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)17(22)11-13(20)2/h7-8,11-12,25H,4-6,9-10H2,1-3H3