ethyl 1-[5-nitro-6-[4-(phenylcarbonyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[4-(phenylcarbonyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-benzoylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-benzoylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-benzoylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-benzoylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C25H24N4O6 MolecularWeight: 476.48126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6/c1-2-34-25(31)19-12-14-28(15-13-19)23-21(29(32)33)24(27-16-26-23)35-20-10-8-18(9-11-20)22(30)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3