[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)OC)Br

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C16H21BrN2O5/c1-9(13(20)18-15(22)19-16(2,3)4)24-14(21)10-6-7-12(23-5)11(17)8-10/h6-9H,1-5H3,(H2,18,19,20,22)/t9-/m1/s1