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

Systemtic Name: ethyl 1-[6-[4-(2-hydroxyethyloxycarbonyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-hydroxyethoxycarbonyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-[2-hydroxyethoxy(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-hydroxyethoxycarbonyl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-hydroxyethoxycarbonyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H24N4O8 MolecularWeight: 460.43726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O8/c1-2-31-20(27)15-7-9-24(10-8-15)18-17(25(29)30)19(23-13-22-18)33-16-5-3-14(4-6-16)21(28)32-12-11-26/h3-6,13,15,26H,2,7-12H2,1H3