2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]malonate Formula: C10H4F3NO6-2 MolecularWeight: 291.13707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6F3NO6/c11-10(12,13)4-1-2-5(6(3-4)14(19)20)7(8(15)16)9(17)18/h1-3,7H,(H,15,16)(H,17,18)/p-2