methyl 2-(4,5-dicyano-2-nitro-phenyl)-2-phenylsulfanyl-ethanoate

Systemtic Name: methyl 2-(4,5-dicyano-2-nitro-phenyl)-2-phenylsulfanyl-ethanoate Openeye Name: methyl 2-(4,5-dicyano-2-nitro-phenyl)-2-phenylsulfanyl-acetate CAS Name: 2-(4,5-dicyano-2-nitrophenyl)-2-(phenylthio)acetic acid methyl ester IUPAC Name: methyl 2-(4,5-dicyano-2-nitrophenyl)-2-phenylsulfanylacetate Traditional Name: 2-(4,5-dicyano-2-nitro-phenyl)-2-(phenylthio)acetic acid methyl ester Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C=C(C(=C1)C#N)C#N)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C1=C(C=C(C(=C1)C#N)C#N)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C17H11N3O4S/c1-24-17(21)16(25-13-5-3-2-4-6-13)14-7-11(9-18)12(10-19)8-15(14)20(22)23/h2-8,16H,1H3