5-chloranyl-4-[(2-methylprop-2-enoylamino)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-chloranyl-4-[(2-methylprop-2-enoylamino)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-chloro-2-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoic acid CAS Name: 5-chloro-2-hydroxy-4-[[(2-methyl-1-oxoprop-2-enyl)amino]methyl]benzoic acid IUPAC Name: 5-chloro-2-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoic acid Traditional Name: 5-chloro-2-hydroxy-4-(methacrylamidomethyl)benzoic acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCC1=C(C=C(C(=C1)O)C(=O)O)Cl

Isomeric SMILES

CC(=C)C(=O)NCC1=C(C=C(C(=C1)O)C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO4/c1-6(2)11(16)14-5-7-3-10(15)8(12(17)18)4-9(7)13/h3-4,15H,1,5H2,2H3,(H,14,16)(H,17,18)