3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]-4-methyl-pentanoic acid

Systemtic Name: 3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]-4-methyl-pentanoic acid Openeye Name: 3-(3-amino-2,4,6-trichloro-phenyl)-4-methyl-pentanoic acid CAS Name: 3-(3-amino-2,4,6-trichlorophenyl)-4-methylpentanoic acid IUPAC Name: 3-(3-amino-2,4,6-trichlorophenyl)-4-methylpentanoic acid Traditional Name: 3-(3-amino-2,4,6-trichloro-phenyl)-4-methyl-valeric acid Formula: C12H14Cl3NO2 MolecularWeight: 310.60406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)C1=C(C(=C(C=C1Cl)Cl)N)Cl

Isomeric SMILES

CC(C)C(CC(=O)O)C1=C(C(=C(C=C1Cl)Cl)N)Cl

InChI

InChI=1S/C12H14Cl3NO2/c1-5(2)6(3-9(17)18)10-7(13)4-8(14)12(16)11(10)15/h4-6H,3,16H2,1-2H3,(H,17,18)