ethanedioic acid; ethyl 3-azanyl-3-[2,4-bis(fluoranyl)phenyl]propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-[2,4-bis(fluoranyl)phenyl]propanoate Openeye Name: ethyl 3-amino-3-(2,4-difluorophenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(2,4-difluorophenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(2,4-difluorophenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(2,4-difluorophenyl)propionic acid ethyl ester; oxalic acid Formula: C13H15F2NO6 MolecularWeight: 319.258106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F2NO2.C2H2O4/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13;3-1(4)2(5)6/h3-5,10H,2,6,14H2,1H3;(H,3,4)(H,5,6)