(2S)-1-(3,4-dimethylphenyl)-2-(5-fluoranyl-2-nitro-phenoxy)propan-1-one

Systemtic Name: (2S)-1-(3,4-dimethylphenyl)-2-(5-fluoranyl-2-nitro-phenoxy)propan-1-one Openeye Name: (2S)-1-(3,4-dimethylphenyl)-2-(5-fluoro-2-nitro-phenoxy)propan-1-one CAS Name: (2S)-1-(3,4-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-(3,4-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-(3,4-dimethylphenyl)-2-(5-fluoro-2-nitro-phenoxy)propan-1-one Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H16FNO4/c1-10-4-5-13(8-11(10)2)17(20)12(3)23-16-9-14(18)6-7-15(16)19(21)22/h4-9,12H,1-3H3/t12-/m0/s1