6-[(5-bromanyl-2-methyl-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(5-bromanyl-2-methyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(5-bromo-2-methyl-anilino)-6-oxo-hexanoic acid CAS Name: 6-(5-bromo-2-methylanilino)-6-oxohexanoic acid IUPAC Name: 6-(5-bromo-2-methylanilino)-6-oxohexanoic acid Traditional Name: 6-(5-bromo-2-methyl-anilino)-6-keto-hexanoic acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC(=O)CCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC(=O)CCCCC(=O)O

InChI

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