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

Systemtic Name: methyl 1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-29-21(26)15-8-10-24(11-9-15)19-18(25(27)28)20(23-13-22-19)30-17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12-13,15H,8-11H2,1H3