(3-carbamimidoylphenyl) 2-azanylethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3-carbamimidoylphenyl) 2-azanylethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3-carbamimidoylphenyl) 2-aminoacetate; 2,2,2-trifluoroacetic acid CAS Name: 2-aminoacetic acid (3-carbamimidoylphenyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: (3-carbamimidoylphenyl) 2-aminoacetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-aminoacetic acid (3-amidinophenyl) ester; 2,2,2-trifluoroacetic acid Formula: C13H13F6N3O6 MolecularWeight: 421.249239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)CN)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)CN)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H11N3O2.2C2HF3O2/c10-5-8(13)14-7-3-1-2-6(4-7)9(11)12;2*3-2(4,5)1(6)7/h1-4H,5,10H2,(H3,11,12);2*(H,6,7)