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

Systemtic Name: 5-chloranyl-4-[(2-methylprop-2-enoylamino)methyl]-2-oxidanyl-benzoate Openeye Name: 5-chloro-2-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoate CAS Name: 5-chloro-2-hydroxy-4-[[(2-methyl-1-oxoprop-2-enyl)amino]methyl]benzoate IUPAC Name: 5-chloro-2-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoate Traditional Name: 5-chloro-2-hydroxy-4-(methacrylamidomethyl)benzoate Formula: C12H11ClNO4- MolecularWeight: 268.67304

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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)/p-1