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

Systemtic Name: 4-cyano-2-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 4-cyano-2-[6-(2-ethoxy-2-oxo-ethoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 4-cyano-2-[[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 4-cyano-2-[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 4-cyano-2-[6-(2-ethoxy-2-keto-ethoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C17H14N4O10S MolecularWeight: 466.37886

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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(=O)O)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O10S/c1-3-29-12(22)8-30-14-13(21(25)26)15(20-17(19-14)32(2,27)28)31-11-6-9(7-18)4-5-10(11)16(23)24/h4-6H,3,8H2,1-2H3,(H,23,24)