2-cyano-5-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid

Systemtic Name: 2-cyano-5-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 2-cyano-5-[6-(2-ethoxy-2-oxo-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 2-cyano-5-[[6-(2-ethoxy-2-oxoethoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 2-cyano-5-[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 2-cyano-5-[6-(2-ethoxy-2-keto-ethoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C17H14N4O8S MolecularWeight: 434.38006

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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)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O8S/c1-3-27-12(22)8-28-14-13(21(25)26)15(20-17(19-14)30-2)29-10-5-4-9(7-18)11(6-10)16(23)24/h4-6H,3,8H2,1-2H3,(H,23,24)