2-[(5-methoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]ethylazanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-[(5-methoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]ethylazanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[(5-methoxycarbonyl-1H-pyrrole-2-carbonyl)amino]ethylammonium; 2,2,2-trifluoroacetate CAS Name: 2-[[(5-methoxycarbonyl-1H-pyrrol-2-yl)-oxomethyl]amino]ethylammonium; 2,2,2-trifluoroacetate IUPAC Name: 2-[(5-methoxycarbonyl-1H-pyrrole-2-carbonyl)amino]ethylazanium; 2,2,2-trifluoroacetate Traditional Name: 2-[(5-carbomethoxy-1H-pyrrole-2-carbonyl)amino]ethylammonium; 2,2,2-trifluoroacetate Formula: C11H14F3N3O5 MolecularWeight: 325.24117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1)C(=O)NCC[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(N1)C(=O)NCC[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C9H13N3O3.C2HF3O2/c1-15-9(14)7-3-2-6(12-7)8(13)11-5-4-10;3-2(4,5)1(6)7/h2-3,12H,4-5,10H2,1H3,(H,11,13);(H,6,7)