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

Systemtic Name: ethyl 2-[6-(5-cyano-2-nitro-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(5-cyano-2-nitro-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(5-cyano-2-nitrophenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(5-cyano-2-nitrophenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(5-cyano-2-nitro-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C16H13N5O10S MolecularWeight: 467.36692

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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)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O10S/c1-3-29-12(22)8-30-14-13(21(25)26)15(19-16(18-14)32(2,27)28)31-11-6-9(7-17)4-5-10(11)20(23)24/h4-6H,3,8H2,1-2H3