cyanomethyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: cyanomethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid cyanomethyl ester Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c1-17-9-3-2-7(6-8(9)12(14)15)10(13)16-5-4-11/h2-3,6H,5H2,1H3