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

Systemtic Name: 1-[6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H17N7O2 MolecularWeight: 339.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H17N7O2/c1-11-6-4-5-9-21(11)15-14(23(24)25)16(18-10-17-15)22-13-8-3-2-7-12(13)19-20-22/h2-3,7-8,10-11H,4-6,9H2,1H3