[2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(N-isopropylanilino)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-(N-isopropylanilino)anilino]-2-keto-ethyl] ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O3/c1-16(2)27(20-6-4-3-5-7-20)21-10-8-19(9-11-21)26-22(28)15-30-23(29)17-12-18(24)14-25-13-17/h3-14,16H,15H2,1-2H3,(H,26,28)