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

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3/c1-4-23(13(2)3)17-7-5-16(6-8-17)22-18(24)12-26-19(25)14-9-15(20)11-21-10-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)