ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-methoxyethyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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)CCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6/c1-3-30-21(26)16-8-11-24(12-9-16)19-18(25(27)28)20(23-14-22-19)31-17-6-4-15(5-7-17)10-13-29-2/h4-7,14,16H,3,8-13H2,1-2H3