1-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(benzylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c23-17(24)13-6-8-21(9-7-13)16-14(22(25)26)15(19-11-20-16)18-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,23,24)(H,18,19,20)