[2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-benzhydrylidenehydrazino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-(diphenylmethylene)hydrazinyl]-2-oxoethyl] ester IUPAC Name: [2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(N'-benzhydrylidenehydrazino)-2-keto-ethyl] ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC(=O)COC(=O)C2=CC(=CN=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=NNC(=O)COC(=O)C2=CC(=CN=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H16BrN3O3/c22-18-11-17(12-23-13-18)21(27)28-14-19(26)24-25-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,26)