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

Systemtic Name: 1-[4-[3-(2-methoxy-4-nitro-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[3-(2-methoxy-4-nitro-phenoxy)propoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[3-(2-methoxy-4-nitrophenoxy)propoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[3-(2-methoxy-4-nitrophenoxy)propoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[3-(2-methoxy-4-nitro-phenoxy)propoxy]-3-propyl-phenyl]ethanone Formula: C21H25NO7 MolecularWeight: 403.4257

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7/c1-4-6-17-18(10-8-16(14(2)23)21(17)24)28-11-5-12-29-19-9-7-15(22(25)26)13-20(19)27-3/h7-10,13,24H,4-6,11-12H2,1-3H3