1-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O5/c24-16(11-4-2-1-3-5-11)21-20-14-13(23(27)28)15(19-10-18-14)22-8-6-12(7-9-22)17(25)26/h1-5,10,12H,6-9H2,(H,21,24)(H,25,26)(H,18,19,20)