N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H11ClF3N5O4 MolecularWeight: 441.74855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N5O4/c1-29-10-2-4-11(5-3-10)30-16-13(26(27)28)15(23-8-24-16)25-14-12(18)6-9(7-22-14)17(19,20)21/h2-8H,1H3,(H,22,23,24,25)