1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C13H14N6O4/c20-13(21)9-1-4-17(5-2-9)11-10(19(22)23)12(16-7-15-11)18-6-3-14-8-18/h3,6-9H,1-2,4-5H2,(H,20,21)