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

Systemtic Name: ethyl 1-[5-nitro-6-[4-(5-oxidanylpyrimidin-2-yl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(5-hydroxypyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(5-hydroxy-2-pyrimidinyl)phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(5-hydroxypyrimidin-2-yl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(5-hydroxypyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H22N6O6 MolecularWeight: 466.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=NC=C(C=N4)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=NC=C(C=N4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6/c1-2-33-22(30)15-7-9-27(10-8-15)20-18(28(31)32)21(26-13-25-20)34-17-5-3-14(4-6-17)19-23-11-16(29)12-24-19/h3-6,11-13,15,29H,2,7-10H2,1H3