2-azanyl-2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-nitro-pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-nitro-pyridin-2-yl]propanoic acid Openeye Name: 2-amino-2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-nitro-2-pyridyl]propanoic acid CAS Name: 2-amino-2-[6-[[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-3-nitro-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-nitropyridin-2-yl]propanoic acid Traditional Name: 2-amino-2-[6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-nitro-2-pyridyl]propionic acid Formula: C13H12F3N5O5 MolecularWeight: 375.26009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=N1)OC2=NN(C(=C2)C(F)(F)F)C)[N+](=O)[O-])(C(=O)O)N

Isomeric SMILES

CC(C1=C(C=CC(=N1)OC2=NN(C(=C2)C(F)(F)F)C)[N+](=O)[O-])(C(=O)O)N

InChI

InChI=1S/C13H12F3N5O5/c1-12(17,11(22)23)10-6(21(24)25)3-4-8(18-10)26-9-5-7(13(14,15)16)20(2)19-9/h3-5H,17H2,1-2H3,(H,22,23)