N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoranyl-2-propyl-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoranyl-2-propyl-pyrimidin-4-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-propyl-pyrimidin-4-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-propyl-4-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-propylpyrimidin-4-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(6-fluoro-2-propyl-pyrimidin-4-yl)amine Formula: C14H10ClF4N5O4 MolecularWeight: 423.706913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CC(=N1)F)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=CC(=N1)F)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClF4N5O4/c1-2-3-9-20-8(16)5-10(21-9)22-12-7(23(25)26)4-6(14(17,18)19)11(15)13(12)24(27)28/h4-5H,2-3H2,1H3,(H,20,21,22)