N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: 2-(4,5-dimethoxy-2-nitro-phenyl)ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amine Formula: C15H15F3N4O4 MolecularWeight: 372.29921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C15H15F3N4O4/c1-25-11-7-9(10(22(23)24)8-12(11)26-2)3-5-19-14-20-6-4-13(21-14)15(16,17)18/h4,6-8H,3,5H2,1-2H3,(H,19,20,21)