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

Systemtic Name: 6-(benzotriazol-1-yl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C17H9ClF3N7O2 MolecularWeight: 435.74727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H9ClF3N7O2/c18-11-6-5-9(7-10(11)17(19,20)21)24-15-14(28(29)30)16(23-8-22-15)27-13-4-2-1-3-12(13)25-26-27/h1-8H,(H,22,23,24)