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

Systemtic Name: (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal Openeye Name: (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal CAS Name: (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal IUPAC Name: (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal Traditional Name: (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butyraldehyde Formula: C12H12F3NO3 MolecularWeight: 275.22379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3/c1-8(7-17)10(6-16(18)19)9-4-2-3-5-11(9)12(13,14)15/h2-5,7-8,10H,6H2,1H3/t8-,10-/m0/s1