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

Systemtic Name: 1-[4-[3-(2-methyl-3-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[3-(2-methyl-3-nitro-phenoxy)propoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[3-(2-methyl-3-nitrophenoxy)propoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[3-(2-methyl-3-nitrophenoxy)propoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[3-(2-methyl-3-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=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-7-17-20(11-10-16(15(3)23)21(17)24)28-13-6-12-27-19-9-5-8-18(14(19)2)22(25)26/h5,8-11,24H,4,6-7,12-13H2,1-3H3