5-chloranyl-2-(3-methylbut-2-enoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-(3-methylbut-2-enoylamino)benzoic acid Openeye Name: 5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid CAS Name: 5-chloro-2-[(3-methyl-1-oxobut-2-enyl)amino]benzoic acid IUPAC Name: 5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid Traditional Name: 5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)