N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H14ClF3N4O3 MolecularWeight: 438.78767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl)C

InChI

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