[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC[C@@H](C)NC(=O)COC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C13H16BrNO3/c1-3-9(2)15-12(16)8-18-13(17)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)/t9-/m1/s1