N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C17H10ClF3N6O4 MolecularWeight: 454.74731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClF3N6O4/c18-12-5-4-9(17(19,20)21)6-13(12)25-16-14(27(30)31)15(22-8-23-16)24-10-2-1-3-11(7-10)26(28)29/h1-8H,(H2,22,23,24,25)