2,4-bis(chloranyl)-5-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(3-methylbutanoylamino)benzoic acid Openeye Name: 2,4-dichloro-5-(3-methylbutanoylamino)benzoic acid CAS Name: 2,4-dichloro-5-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 2,4-dichloro-5-(3-methylbutanoylamino)benzoic acid Traditional Name: 2,4-dichloro-5-(isovalerylamino)benzoic acid Formula: C12H13Cl2NO3 MolecularWeight: 290.14252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=C(C(=C1)C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=C(C(=C1)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO3/c1-6(2)3-11(16)15-10-4-7(12(17)18)8(13)5-9(10)14/h4-6H,3H2,1-2H3,(H,15,16)(H,17,18)