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

Systemtic Name: 1-[4-[3-(2,4-dimethyl-5-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(2,4-dimethyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(2,4-dimethyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(2,4-dimethyl-5-nitrophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(2,4-dimethyl-5-nitro-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C22H27NO6 MolecularWeight: 401.45288

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-5-7-18-20(9-8-17(16(4)24)22(18)25)28-10-6-11-29-21-13-19(23(26)27)14(2)12-15(21)3/h8-9,12-13,25H,5-7,10-11H2,1-4H3