phenyl 2-azanyl-3-bromanyl-5-nitro-benzenesulfonate

Systemtic Name: phenyl 2-azanyl-3-bromanyl-5-nitro-benzenesulfonate Openeye Name: phenyl 2-amino-3-bromo-5-nitro-benzenesulfonate CAS Name: 2-amino-3-bromo-5-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-amino-3-bromo-5-nitrobenzenesulfonate Traditional Name: 2-amino-3-bromo-5-nitro-benzenesulfonic acid phenyl ester Formula: C12H9BrN2O5S MolecularWeight: 373.17926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])Br)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])Br)N

InChI

InChI=1S/C12H9BrN2O5S/c13-10-6-8(15(16)17)7-11(12(10)14)21(18,19)20-9-4-2-1-3-5-9/h1-7H,14H2