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

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3/c1-3-22(4-2)16-7-5-15(6-8-16)21-17(23)12-25-18(24)13-9-14(19)11-20-10-13/h5-11H,3-4,12H2,1-2H3,(H,21,23)