1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole

Systemtic Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole Openeye Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole CAS Name: 1-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzotriazole Traditional Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole Formula: C13H8N8O2 MolecularWeight: 308.25502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C13H8N8O2/c22-21(23)11-12(19-6-5-14-8-19)15-7-16-13(11)20-10-4-2-1-3-9(10)17-18-20/h1-8H