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

Systemtic Name: [4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5S/c23-22(24)15-8-11-18(19-13-15)21-20-12-14-6-9-16(10-7-14)27-28(25,26)17-4-2-1-3-5-17/h1-13H,(H,19,21)/b20-12+