ethyl 1-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(1-naphthyloxy)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: 1-[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-2-30-22(27)16-9-6-12-25(13-16)20-19(26(28)29)21(24-14-23-20)31-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,14,16H,2,6,9,12-13H2,1H3