3-[4-nitro-2-(trifluoromethyl)phenyl]propanal

Systemtic Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]propanal Openeye Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]propanal CAS Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]propanal IUPAC Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]propanal Traditional Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]propionaldehyde Formula: C10H8F3NO3 MolecularWeight: 247.17063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8F3NO3/c11-10(12,13)9-6-8(14(16)17)4-3-7(9)2-1-5-15/h3-6H,1-2H2