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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-ethoxy-5-nitro-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-5-nitro-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-5-nitro-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-5-nitropyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-(6-ethoxy-5-nitro-pyrimidin-4-yl)amine Formula: C13H10ClF3N4O3 MolecularWeight: 362.69171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H10ClF3N4O3/c1-2-24-12-10(21(22)23)11(18-6-19-12)20-7-3-4-9(14)8(5-7)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)