ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-5-nitro-2-phenoxy-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-5-nitro-2-phenoxy-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-5-nitro-2-phenoxy-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-5-nitro-2-phenoxy-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(5-cyano-2-methylphenoxy)-5-nitro-2-phenoxypyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-5-nitro-2-phenoxy-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C22H18N4O7 MolecularWeight: 450.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C)OC3=CC=CC=C3

InChI

InChI=1S/C22H18N4O7/c1-3-30-18(27)13-31-20-19(26(28)29)21(33-17-11-15(12-23)10-9-14(17)2)25-22(24-20)32-16-7-5-4-6-8-16/h4-11H,3,13H2,1-2H3