(4-methyl-2-nitro-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 3-cyanobenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c1-10-5-6-14(13(7-10)16(17)18)21-22(19,20)12-4-2-3-11(8-12)9-15/h2-8H,1H3