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

Systemtic Name: 2-cyano-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 2-cyano-5-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 2-cyano-5-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 2-cyano-5-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 2-cyano-5-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C17H15N5O9S MolecularWeight: 465.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=C(C=C2)C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=C(C=C2)C#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O9S/c1-3-30-12(23)8-19-14-13(22(26)27)15(21-17(20-14)32(2,28)29)31-10-5-4-9(7-18)11(6-10)16(24)25/h4-6H,3,8H2,1-2H3,(H,24,25)(H,19,20,21)