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

Systemtic Name: ethyl 2-[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-carbamoyl-4-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-carbamoyl-4-cyanophenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-carbamoyl-4-cyano-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C17H15N5O9S MolecularWeight: 465.3941

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

Isomeric SMILES

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

InChI

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