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

Systemtic Name: ethyl 2-[[6-(5-cyano-2-nitro-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(5-cyano-2-nitro-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(5-cyano-2-nitrophenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(5-cyano-2-nitrophenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(5-cyano-2-nitro-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C16H14N6O9S MolecularWeight: 466.38216

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O9S/c1-3-30-12(23)8-18-14-13(22(26)27)15(20-16(19-14)32(2,28)29)31-11-6-9(7-17)4-5-10(11)21(24)25/h4-6H,3,8H2,1-2H3,(H,18,19,20)