2,3,6-tris(chloranyl)-5-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]benzoic acid

Systemtic Name: 2,3,6-tris(chloranyl)-5-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]benzoic acid Openeye Name: 3-[(2-acetyl-3-oxo-but-1-enyl)amino]-2,5,6-trichloro-benzoic acid CAS Name: 3-[(2-acetyl-3-oxobut-1-enyl)amino]-2,5,6-trichlorobenzoic acid IUPAC Name: 3-[(2-acetyl-3-oxobut-1-enyl)amino]-2,5,6-trichlorobenzoic acid Traditional Name: 3-[(2-acetyl-3-keto-but-1-enyl)amino]-2,5,6-trichloro-benzoic acid Formula: C13H10Cl3NO4 MolecularWeight: 350.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl)C(=O)C

Isomeric SMILES

CC(=O)C(=CNC1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl)C(=O)C

InChI

InChI=1S/C13H10Cl3NO4/c1-5(18)7(6(2)19)4-17-9-3-8(14)11(15)10(12(9)16)13(20)21/h3-4,17H,1-2H3,(H,20,21)