[4-bromanyl-2-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [4-bromanyl-2-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-bromo-2-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-bromo-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-bromo-2-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] ester Formula: C18H13BrN4O5S MolecularWeight: 477.28862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=NNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5S/c19-14-6-8-17(28-29(26,27)16-4-2-1-3-5-16)13(10-14)11-21-22-18-9-7-15(12-20-18)23(24)25/h1-12H,(H,20,22)/b21-11+