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

Systemtic Name: 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]isonipecotic acid Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c23-16(24)11-6-8-21(9-7-11)15-13(22(25)26)14(17-10-18-15)20-19-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H,23,24)(H,17,18,20)