(2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal

Systemtic Name: (2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal Openeye Name: (2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal CAS Name: (2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal IUPAC Name: (2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal Traditional Name: (2S,3R)-2-ethyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butyraldehyde Formula: C13H14F3NO3 MolecularWeight: 289.25037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)C(C[N+](=O)[O-])C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC[C@H](C=O)[C@@H](C[N+](=O)[O-])C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H14F3NO3/c1-2-9(8-18)11(7-17(19)20)10-5-3-4-6-12(10)13(14,15)16/h3-6,8-9,11H,2,7H2,1H3/t9-,11-/m1/s1