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

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H10F3N7O2 MolecularWeight: 401.30221

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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)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10F3N7O2/c18-17(19,20)10-5-7-11(8-6-10)23-15-14(27(28)29)16(22-9-21-15)26-13-4-2-1-3-12(13)24-25-26/h1-9H,(H,21,22,23)