methyl 3-[(2-bromanyl-3-methyl-butanoyl)amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[(2-bromanyl-3-methyl-butanoyl)amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[(2-bromo-3-methyl-butanoyl)amino]-4-chloro-benzoate CAS Name: 3-[(2-bromo-3-methyl-1-oxobutyl)amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-bromo-3-methylbutanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[(2-bromo-3-methyl-butanoyl)amino]-4-chloro-benzoic acid methyl ester Formula: C13H15BrClNO3 MolecularWeight: 348.6201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)Br

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)Br

InChI

InChI=1S/C13H15BrClNO3/c1-7(2)11(14)12(17)16-10-6-8(13(18)19-3)4-5-9(10)15/h4-7,11H,1-3H3,(H,16,17)