1-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-[6-(1-naphthyloxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c25-20(26)14-8-10-23(11-9-14)18-17(24(27)28)19(22-12-21-18)29-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H,25,26)