[4-(imidazol-1-ylmethyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(imidazol-1-ylmethyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-(imidazol-1-ylmethyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(1-imidazolylmethyl)phenyl] ester IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-(imidazol-1-ylmethyl)phenyl] ester Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c20-19(21)14-3-7-16(8-4-14)25(22,23)24-15-5-1-13(2-6-15)11-18-10-9-17-12-18/h1-10,12H,11H2