ethyl 1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: 1-[6-(2-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=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

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