6-(4-ethylphenoxy)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(4-ethylphenoxy)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-ethylphenoxy)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(4-ethylphenoxy)-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-ethylphenoxy)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C19H15F3N4O3 MolecularWeight: 404.34261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3/c1-2-12-3-9-15(10-4-12)29-18-16(26(27)28)17(23-11-24-18)25-14-7-5-13(6-8-14)19(20,21)22/h3-11H,2H2,1H3,(H,23,24,25)