4-[(2-bromanyl-4,6-dimethyl-phenyl)-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromanyl-4,6-dimethyl-phenyl)-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-N,4,6-trimethyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-bromo-N,4,6-trimethylanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-N,4,6-trimethylanilino)-4-oxobutanoic acid Traditional Name: 4-(2-bromo-N,4,6-trimethyl-anilino)-4-keto-butyric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N(C)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N(C)C(=O)CCC(=O)O)C

InChI

InChI=1S/C13H16BrNO3/c1-8-6-9(2)13(10(14)7-8)15(3)11(16)4-5-12(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)