1-[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[[oxo(3-pyridinyl)methyl]hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(N'-nicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H17N7O5 MolecularWeight: 387.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O5/c24-15(11-2-1-5-17-8-11)21-20-13-12(23(27)28)14(19-9-18-13)22-6-3-10(4-7-22)16(25)26/h1-2,5,8-10H,3-4,6-7H2,(H,21,24)(H,25,26)(H,18,19,20)