1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H19N7O2/c1-2-12-7-5-6-10-22(12)16-15(24(25)26)17(19-11-18-16)23-14-9-4-3-8-13(14)20-21-23/h3-4,8-9,11-12H,2,5-7,10H2,1H3