(2-cyanophenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-cyanophenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-cyanophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

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

InChI

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