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

Systemtic Name: 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C17H16N6O4/c24-17(25)11-5-7-21(8-6-11)15-14(23(26)27)16(19-9-18-15)22-10-20-12-3-1-2-4-13(12)22/h1-4,9-11H,5-8H2,(H,24,25)