ethyl 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propanoate CAS Name: 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propanoate Traditional Name: 3-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]propionic acid ethyl ester Formula: C18H15F3N2O7 MolecularWeight: 428.31611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O7/c1-2-29-16(24)8-5-11-3-6-13(7-4-11)30-17-14(22(25)26)9-12(18(19,20)21)10-15(17)23(27)28/h3-4,6-7,9-10H,2,5,8H2,1H3