1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H15N7O4 MolecularWeight: 369.3348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H15N7O4/c24-16(25)10-5-7-21(8-6-10)14-13(23(26)27)15(18-9-17-14)22-12-4-2-1-3-11(12)19-20-22/h1-4,9-10H,5-8H2,(H,24,25)