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

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c22-16(23)12-5-9-20(10-6-12)15-13(21(24)25)14(17-11-18-15)19-7-3-1-2-4-8-19/h11-12H,1-10H2,(H,22,23)