methyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methyl-5-nitro-4-oxidanyl-phenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methyl-5-nitro-4-oxidanyl-phenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3-methyl-5-nitro-phenyl)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3-methyl-5-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3-methyl-5-nitrophenyl)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3-methyl-5-nitro-phenyl)propionic acid methyl ester Formula: C11H10F3NO6 MolecularWeight: 309.19541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@](C(=O)OC)(C(F)(F)F)O)[N+](=O)[O-])O

InChI

InChI=1S/C11H10F3NO6/c1-5-3-6(4-7(8(5)16)15(19)20)10(18,9(17)21-2)11(12,13)14/h3-4,16,18H,1-2H3/t10-/m0/s1