(4-azanyl-3-nitro-phenyl) 4-ethylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-ethylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C14H14N2O5S MolecularWeight: 322.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-2-10-3-6-12(7-4-10)22(19,20)21-11-5-8-13(15)14(9-11)16(17)18/h3-9H,2,15H2,1H3