2-[2-[[2-cyano-4-(trifluoromethyl)phenyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[2-cyano-4-(trifluoromethyl)phenyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[2-cyano-4-(trifluoromethyl)anilino]acetyl]amino]acetic acid CAS Name: 2-[[2-[2-cyano-4-(trifluoromethyl)anilino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-cyano-4-(trifluoromethyl)anilino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[2-cyano-4-(trifluoromethyl)anilino]acetyl]amino]acetic acid Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C#N)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C#N)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H10F3N3O3/c13-12(14,15)8-1-2-9(7(3-8)4-16)17-5-10(19)18-6-11(20)21/h1-3,17H,5-6H2,(H,18,19)(H,20,21)