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

Systemtic Name: ethyl 2-[[6-(2-aminocarbonyl-5-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(2-carbamoyl-5-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(2-carbamoyl-5-cyanophenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(2-carbamoyl-5-cyanophenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(2-carbamoyl-5-cyano-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C17H16N6O8S MolecularWeight: 464.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O8S/c1-3-30-12(24)8-20-15-13(23(26)27)16(22-17(21-15)32(2,28)29)31-11-6-9(7-18)4-5-10(11)14(19)25/h4-6H,3,8H2,1-2H3,(H2,19,25)(H,20,21,22)