butyl 2-[5-azanyl-4-nitro-2-(trifluoromethyl)phenoxy]ethanoate; methylphosphonic acid

Systemtic Name: butyl 2-[5-azanyl-4-nitro-2-(trifluoromethyl)phenoxy]ethanoate; methylphosphonic acid Openeye Name: butyl 2-[5-amino-4-nitro-2-(trifluoromethyl)phenoxy]acetate; methylphosphonic acid CAS Name: 2-[5-amino-4-nitro-2-(trifluoromethyl)phenoxy]acetic acid butyl ester; methylphosphonic acid IUPAC Name: butyl 2-[5-amino-4-nitro-2-(trifluoromethyl)phenoxy]acetate; methylphosphonic acid Traditional Name: 2-[5-amino-4-nitro-2-(trifluoromethyl)phenoxy]acetic acid butyl ester; methylphosphonic acid Formula: C14H20F3N2O8P MolecularWeight: 432.286171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N.CP(=O)(O)O

Isomeric SMILES

CCCCOC(=O)COC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N.CP(=O)(O)O

InChI

InChI=1S/C13H15F3N2O5.CH5O3P/c1-2-3-4-22-12(19)7-23-11-6-9(17)10(18(20)21)5-8(11)13(14,15)16;1-5(2,3)4/h5-6H,2-4,7,17H2,1H3;1H3,(H2,2,3,4)