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

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoranyl-pyrimidin-4-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoro-pyrimidin-4-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoro-4-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoropyrimidin-4-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(2-cyclopropyl-6-fluoro-pyrimidin-4-yl)amine Formula: C14H8ClF4N5O4 MolecularWeight: 421.691033

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=CC(=N2)F)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=CC(=N2)F)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClF4N5O4/c15-10-6(14(17,18)19)3-7(23(25)26)11(12(10)24(27)28)21-9-4-8(16)20-13(22-9)5-1-2-5/h3-5H,1-2H2,(H,20,21,22)