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

Systemtic Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H9N9O2 MolecularWeight: 359.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N9O2/c26-25(27)14-15(23-12-7-3-1-5-10(12)19-21-23)17-9-18-16(14)24-13-8-4-2-6-11(13)20-22-24/h1-9H