cyanomethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: cyanomethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: cyanomethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid cyanomethyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c1-25-15-7-6-11(10-14(15)19(22)23)16(20)12-4-2-3-5-13(12)17(21)24-9-8-18/h2-7,10H,9H2,1H3