(2-cyanophenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-cyanophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-cyanophenyl) ester Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

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