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

Systemtic Name: (2S,3R)-2-methyl-4-nitro-3-[4-(trifluoromethyloxy)phenyl]butanal Openeye Name: (2S,3R)-2-methyl-4-nitro-3-[4-(trifluoromethoxy)phenyl]butanal CAS Name: (2S,3R)-2-methyl-4-nitro-3-[4-(trifluoromethoxy)phenyl]butanal IUPAC Name: (2S,3R)-2-methyl-4-nitro-3-[4-(trifluoromethoxy)phenyl]butanal Traditional Name: (2S,3R)-2-methyl-4-nitro-3-[4-(trifluoromethoxy)phenyl]butyraldehyde Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO4/c1-8(7-17)11(6-16(18)19)9-2-4-10(5-3-9)20-12(13,14)15/h2-5,7-8,11H,6H2,1H3/t8-,11-/m1/s1