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

Systemtic Name: 1-[4-[3-(3-methyl-4-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[3-(3-methyl-4-nitro-phenoxy)propoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[3-(3-methyl-4-nitrophenoxy)propoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[3-(3-methyl-4-nitrophenoxy)propoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[3-(3-methyl-4-nitro-phenoxy)propoxy]-3-propyl-phenyl]ethanone Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-6-18-20(10-8-17(15(3)23)21(18)24)28-12-5-11-27-16-7-9-19(22(25)26)14(2)13-16/h7-10,13,24H,4-6,11-12H2,1-3H3