[4-bromanyl-3-[(E)-[2-(pyridin-4-ylcarbonylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-bromanyl-3-[(E)-[2-(pyridin-4-ylcarbonylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-bromo-3-[(E)-[[2-(pyridine-4-carbonylamino)acetyl]hydrazono]methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-bromo-3-[(E)-[[1-oxo-2-[[oxo(pyridin-4-yl)methyl]amino]ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-3-[(E)-[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-bromo-3-[(E)-[(2-isonicotinamidoacetyl)hydrazono]methyl]phenyl] ester Formula: C22H16Br2N4O4 MolecularWeight: 560.19484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)Br)C=NNC(=O)CNC(=O)C3=CC=NC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC=NC=C3)Br

InChI

InChI=1S/C22H16Br2N4O4/c23-17-3-1-15(2-4-17)22(31)32-18-5-6-19(24)16(11-18)12-27-28-20(29)13-26-21(30)14-7-9-25-10-8-14/h1-12H,13H2,(H,26,30)(H,28,29)/b27-12+