ethyl (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-2-oxidanyl-propanoate

Systemtic Name: ethyl (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-2-oxidanyl-propanoate Openeye Name: ethyl (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-nitro-propanoate CAS Name: (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-nitropropanoate Traditional Name: (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-nitro-propionic acid ethyl ester Formula: C13H11F6NO5 MolecularWeight: 375.220559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F6NO5/c1-2-25-10(21)11(22,6-20(23)24)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5,22H,2,6H2,1H3/t11-/m0/s1