methyl 2-(2-cyano-3,5-dinitro-phenyl)sulfonylethanoate

Systemtic Name: methyl 2-(2-cyano-3,5-dinitro-phenyl)sulfonylethanoate Openeye Name: methyl 2-(2-cyano-3,5-dinitro-phenyl)sulfonylacetate CAS Name: 2-(2-cyano-3,5-dinitrophenyl)sulfonylacetic acid methyl ester IUPAC Name: methyl 2-(2-cyano-3,5-dinitrophenyl)sulfonylacetate Traditional Name: 2-(2-cyano-3,5-dinitro-phenyl)sulfonylacetic acid methyl ester Formula: C10H7N3O8S MolecularWeight: 329.24288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O8S/c1-21-10(14)5-22(19,20)9-3-6(12(15)16)2-8(13(17)18)7(9)4-11/h2-3H,5H2,1H3