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

Systemtic Name: methyl 2-(2-cyano-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-cyano-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(2-cyano-3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-cyano-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2-cyano-3,5-dinitro-phenyl)thio]acetic acid methyl ester Formula: C10H7N3O6S MolecularWeight: 297.24408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O6S/c1-19-10(14)5-20-9-3-6(12(15)16)2-8(13(17)18)7(9)4-11/h2-3H,5H2,1H3