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

Systemtic Name: ethyl 1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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