ethyl 2-[[6-(3-cyano-5-methoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-(3-cyano-5-methoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-cyano-5-methoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-cyano-5-methoxyphenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-cyano-5-methoxyphenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-cyano-5-methoxy-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C17H17N5O8S MolecularWeight: 451.41058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O8S/c1-4-29-13(23)9-19-15-14(22(24)25)16(21-17(20-15)31(3,26)27)30-12-6-10(8-18)5-11(7-12)28-2/h5-7H,4,9H2,1-3H3,(H,19,20,21)