ethanedioic acid; ethyl 3-azanyl-3-[2-chloranyl-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-[2-chloranyl-5-(trifluoromethyl)phenyl]propanoate Openeye Name: ethyl 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoate; oxalic acid CAS Name: 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoate; oxalic acid Traditional Name: 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propionic acid ethyl ester; oxalic acid Formula: C14H15ClF3NO6 MolecularWeight: 385.72021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C=CC(=C1)C(F)(F)F)Cl)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=C(C=CC(=C1)C(F)(F)F)Cl)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H13ClF3NO2.C2H2O4/c1-2-19-11(18)6-10(17)8-5-7(12(14,15)16)3-4-9(8)13;3-1(4)2(5)6/h3-5,10H,2,6,17H2,1H3;(H,3,4)(H,5,6)