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

Systemtic Name: ethyl 2-[[6-(4-cyano-3-nitro-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(4-cyano-3-nitro-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(4-cyano-3-nitrophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(4-cyano-3-nitrophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(4-cyano-3-nitro-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C16H14N6O7S MolecularWeight: 434.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O7S/c1-3-28-12(23)8-18-14-13(22(26)27)15(20-16(19-14)30-2)29-10-5-4-9(7-17)11(6-10)21(24)25/h4-6H,3,8H2,1-2H3,(H,18,19,20)