[6-[2-chloranyl-4-(trifluoromethyl)phenoxy]pyridin-2-yl] 2-azanyl-3-nitro-propanoate

Systemtic Name: [6-[2-chloranyl-4-(trifluoromethyl)phenoxy]pyridin-2-yl] 2-azanyl-3-nitro-propanoate Openeye Name: [6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-pyridyl] 2-amino-3-nitro-propanoate CAS Name: 2-amino-3-nitropropanoic acid [6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-pyridinyl] ester IUPAC Name: [6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridin-2-yl] 2-amino-3-nitropropanoate Traditional Name: 2-amino-3-nitro-propionic acid [6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-pyridyl] ester Formula: C15H11ClF3N3O5 MolecularWeight: 405.71315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)OC(=O)C(C[N+](=O)[O-])N)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=NC(=C1)OC(=O)C(C[N+](=O)[O-])N)OC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H11ClF3N3O5/c16-9-6-8(15(17,18)19)4-5-11(9)26-12-2-1-3-13(21-12)27-14(23)10(20)7-22(24)25/h1-6,10H,7,20H2