(4-cyanophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-23-15-7-6-13(8-14(15)18(20)21)16(19)22-10-12-4-2-11(9-17)3-5-12/h2-8H,10H2,1H3