(4-azanyl-3-nitro-phenyl) 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O5S/c1-8-6-9(14)2-5-13(8)22(19,20)21-10-3-4-11(15)12(7-10)16(17)18/h2-7H,15H2,1H3