(2-cyanophenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-cyanophenyl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-cyanobenzyl) ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O5S/c1-31-21-11-10-15(12-20(21)25(28)29)22(26)18-8-4-5-9-19(18)23(27)30-14-17-7-3-2-6-16(17)13-24/h2-12H,14H2,1H3