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

Systemtic Name: (4-cyanophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6S/c1-25(22,23)15-7-6-13(8-14(15)18(20)21)16(19)24-10-12-4-2-11(9-17)3-5-12/h2-8H,10H2,1H3