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

Systemtic Name: 3,5-bis(chloranyl)-2-(3-methylbutanoylamino)benzoic acid Openeye Name: 3,5-dichloro-2-(3-methylbutanoylamino)benzoic acid CAS Name: 3,5-dichloro-2-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 3,5-dichloro-2-(3-methylbutanoylamino)benzoic acid Traditional Name: 3,5-dichloro-2-(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=C1C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

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