1-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H9BrN6O3 MolecularWeight: 413.18506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H9BrN6O3/c17-10-5-7-11(8-6-10)26-16-14(23(24)25)15(18-9-19-16)22-13-4-2-1-3-12(13)20-21-22/h1-9H