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

Systemtic Name: [(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1R)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H21BrN2O3/c1-12(25-18(24)13-9-15(20)11-21-10-13)17(23)22-16-7-5-14(6-8-16)19(2,3)4/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1