(7S)-1-(3-methoxyphenyl)-8-(4-nitrophenyl)-7-oxidanyl-octan-2-one

Systemtic Name: (7S)-1-(3-methoxyphenyl)-8-(4-nitrophenyl)-7-oxidanyl-octan-2-one Openeye Name: (7S)-7-hydroxy-1-(3-methoxyphenyl)-8-(4-nitrophenyl)octan-2-one CAS Name: (7S)-7-hydroxy-1-(3-methoxyphenyl)-8-(4-nitrophenyl)-2-octanone IUPAC Name: (7S)-7-hydroxy-1-(3-methoxyphenyl)-8-(4-nitrophenyl)octan-2-one Traditional Name: (7S)-7-hydroxy-1-(3-methoxyphenyl)-8-(4-nitrophenyl)octan-2-one Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)CCCCC(CC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)CCCC[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H25NO5/c1-27-21-8-4-5-17(15-21)14-20(24)7-3-2-6-19(23)13-16-9-11-18(12-10-16)22(25)26/h4-5,8-12,15,19,23H,2-3,6-7,13-14H2,1H3/t19-/m0/s1