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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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