[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 4-methoxy-2-nitro-benzenesulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 4-methoxy-2-nitro-benzenesulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 4-methoxy-2-nitro-benzenesulfonate CAS Name: 4-methoxy-2-nitrobenzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 4-methoxy-2-nitrobenzenesulfonate Traditional Name: 4-methoxy-2-nitro-benzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C16H13N3O7S MolecularWeight: 391.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7S/c1-10-17-16(18-25-10)11-3-5-12(6-4-11)26-27(22,23)15-8-7-13(24-2)9-14(15)19(20)21/h3-9H,1-2H3