(2-azanyl-5-nitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-azanyl-5-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-amino-5-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-amino-5-nitrophenyl) ester IUPAC Name: (2-amino-5-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-5-nitro-phenyl) ester Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-9-2-5-11(6-3-9)21(18,19)20-13-8-10(15(16)17)4-7-12(13)14/h2-8H,14H2,1H3