1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]isonipecotic acid Formula: C15H16N6O4 MolecularWeight: 344.32534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O4/c22-15(23)10-3-6-20(7-4-10)14-12(21(24)25)13(17-9-18-14)19-11-2-1-5-16-8-11/h1-2,5,8-10H,3-4,6-7H2,(H,22,23)(H,17,18,19)