[1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C22H19BrN2O4/c1-15(29-22(27)17-11-18(23)13-24-12-17)21(26)25-19-7-9-20(10-8-19)28-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,26)