2,2,2-tris(fluoranyl)ethanoyl 2-azanyl-6-[(3-nitropyridin-2-yl)amino]hexanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoyl 2-azanyl-6-[(3-nitropyridin-2-yl)amino]hexanoate Openeye Name: (2,2,2-trifluoroacetyl) 2-amino-6-[(3-nitro-2-pyridyl)amino]hexanoate CAS Name: 2-amino-6-[(3-nitro-2-pyridinyl)amino]hexanoic acid (2,2,2-trifluoro-1-oxoethyl) ester IUPAC Name: (2,2,2-trifluoroacetyl) 2-amino-6-[(3-nitropyridin-2-yl)amino]hexanoate Traditional Name: 2-amino-6-[(3-nitro-2-pyridyl)amino]hexanoic acid (2,2,2-trifluoroacetyl) ester Formula: C13H15F3N4O5 MolecularWeight: 364.27721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCCCC(C(=O)OC(=O)C(F)(F)F)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)NCCCCC(C(=O)OC(=O)C(F)(F)F)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N4O5/c14-13(15,16)12(22)25-11(21)8(17)4-1-2-6-18-10-9(20(23)24)5-3-7-19-10/h3,5,7-8H,1-2,4,6,17H2,(H,18,19)