5-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-bromo-2,6-dimethyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-(4-bromo-2,6-dimethylanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-bromo-2,6-dimethylanilino)-5-oxopentanoic acid Traditional Name: 5-(4-bromo-2,6-dimethyl-anilino)-5-keto-valeric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCCC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCCC(=O)O)C)Br

InChI

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