[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H18BrClN2O3 MolecularWeight: 401.68272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)Br)Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C16H18BrClN2O3/c1-9(2)16(4,8-19)20-14(21)10(3)23-15(22)12-7-11(17)5-6-13(12)18/h5-7,9-10H,1-4H3,(H,20,21)