ethyl 2-[6-(4-cyano-3-nitro-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-(4-cyano-3-nitro-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(4-cyano-3-nitro-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(4-cyano-3-nitrophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-cyano-3-nitrophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(4-cyano-3-nitro-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C16H13N5O8S MolecularWeight: 435.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O8S/c1-3-27-12(22)8-28-14-13(21(25)26)15(19-16(18-14)30-2)29-10-5-4-9(7-17)11(6-10)20(23)24/h4-6H,3,8H2,1-2H3