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

Systemtic Name: ethyl 2-[6-(5-cyano-2-phenoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(5-cyano-2-phenoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(5-cyano-2-phenoxyphenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(5-cyano-2-phenoxyphenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(5-cyano-2-phenoxy-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C22H18N4O9S MolecularWeight: 514.46472

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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)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O9S/c1-3-32-18(27)13-33-20-19(26(28)29)21(25-22(24-20)36(2,30)31)35-17-11-14(12-23)9-10-16(17)34-15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3