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

Systemtic Name: (4-cyanophenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-cyanophenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-cyanophenyl) ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c1-22-14-7-4-11(8-13(14)17(19)20)15(18)21-12-5-2-10(9-16)3-6-12/h2-8H,1H3