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

Systemtic Name: 2-chloranyl-3-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]benzoic acid Openeye Name: 3-[(2-acetyl-3-oxo-but-1-enyl)amino]-2-chloro-benzoic acid CAS Name: 3-[(2-acetyl-3-oxobut-1-enyl)amino]-2-chlorobenzoic acid IUPAC Name: 3-[(2-acetyl-3-oxobut-1-enyl)amino]-2-chlorobenzoic acid Traditional Name: 3-[(2-acetyl-3-keto-but-1-enyl)amino]-2-chloro-benzoic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4/c1-7(16)10(8(2)17)6-15-11-5-3-4-9(12(11)14)13(18)19/h3-6,15H,1-2H3,(H,18,19)