(2-cyanophenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-cyanophenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: (2-cyanophenyl) 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid (2-cyanophenyl) ester Formula: C14H9ClN2O5S MolecularWeight: 352.74966

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN2O5S/c1-9-12(15)6-11(7-13(9)17(18)19)23(20,21)22-14-5-3-2-4-10(14)8-16/h2-7H,1H3