ethanedioic acid; 3,3,3-tris(fluoranyl)-N2-phenyl-propane-1,2-diamine

Systemtic Name: ethanedioic acid; 3,3,3-tris(fluoranyl)-N2-phenyl-propane-1,2-diamine Openeye Name: oxalic acid; 3,3,3-trifluoro-N2-phenyl-propane-1,2-diamine CAS Name: oxalic acid; 3,3,3-trifluoro-N2-phenylpropane-1,2-diamine IUPAC Name: oxalic acid; 3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine Traditional Name: [1-(aminomethyl)-2,2,2-trifluoro-ethyl]-phenyl-amine; oxalic acid Formula: C11H13F3N2O4 MolecularWeight: 294.22713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CN)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(CN)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C9H11F3N2.C2H2O4/c10-9(11,12)8(6-13)14-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,8,14H,6,13H2;(H,3,4)(H,5,6)