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

Systemtic Name: 2-chloranyl-N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-pyrimidin-5-amine Openeye Name: 2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-pyrimidin-5-amine CAS Name: 2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-5-pyrimidinamine IUPAC Name: 2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxypyrimidin-5-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(2-chloro-4-methoxy-pyrimidin-5-yl)amine Formula: C12H6Cl2F3N5O5 MolecularWeight: 428.10775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=NC(=NC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H6Cl2F3N5O5/c1-27-10-5(3-18-11(14)20-10)19-8-6(21(23)24)2-4(12(15,16)17)7(13)9(8)22(25)26/h2-3,19H,1H3