ethyl 1-[5-nitro-6-[4-(3-oxidanylidenebutyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[4-(3-oxidanylidenebutyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[4-(3-oxobutyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(3-oxobutyl)phenoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[4-(3-oxobutyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(3-ketobutyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-3-31-22(28)17-10-12-25(13-11-17)20-19(26(29)30)21(24-14-23-20)32-18-8-6-16(7-9-18)5-4-15(2)27/h6-9,14,17H,3-5,10-13H2,1-2H3