dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[2-nitro-4-(trifluoromethyl)phenyl]malonic acid dimethyl ester Formula: C15H14F3NO6 MolecularWeight: 361.26997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3NO6/c1-4-7-14(12(20)24-2,13(21)25-3)10-6-5-9(15(16,17)18)8-11(10)19(22)23/h4-6,8H,1,7H2,2-3H3