N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H14ClF3N4O3 MolecularWeight: 438.78767

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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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClF3N4O3/c1-2-11-3-6-13(7-4-11)30-18-16(27(28)29)17(24-10-25-18)26-12-5-8-15(20)14(9-12)19(21,22)23/h3-10H,2H2,1H3,(H,24,25,26)