6-(benzotriazol-1-yl)-N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C16H8ClF3N8O2 MolecularWeight: 436.73533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H8ClF3N8O2/c17-9-5-8(16(18,19)20)6-21-13(9)24-14-12(28(29)30)15(23-7-22-14)27-11-4-2-1-3-10(11)25-26-27/h1-7H,(H,21,22,23,24)