1-[4-[4-(4-nitrophenoxy)butoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-nitrophenoxy)butoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[4-(4-nitrophenoxy)butoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[4-(4-nitrophenoxy)butoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[4-(4-nitrophenoxy)butoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[4-(4-nitrophenoxy)butoxy]-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)OCCCCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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