3-[(5-bromanyl-2-methyl-phenyl)amino]propanoic acid

Systemtic Name: 3-[(5-bromanyl-2-methyl-phenyl)amino]propanoic acid Openeye Name: 3-(5-bromo-2-methyl-anilino)propanoic acid CAS Name: 3-(5-bromo-2-methylanilino)propanoic acid IUPAC Name: 3-(5-bromo-2-methylanilino)propanoic acid Traditional Name: 3-(5-bromo-2-methyl-anilino)propionic acid Formula: C10H12BrNO2 MolecularWeight: 258.11178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NCCC(=O)O

InChI

InChI=1S/C10H12BrNO2/c1-7-2-3-8(11)6-9(7)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)