4-[(2-methylprop-2-enoylamino)methyl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[(2-methylprop-2-enoylamino)methyl]-3-oxidanyl-benzoic acid Openeye Name: 3-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoic acid CAS Name: 3-hydroxy-4-[[(2-methyl-1-oxoprop-2-enyl)amino]methyl]benzoic acid IUPAC Name: 3-hydroxy-4-[(2-methylprop-2-enoylamino)methyl]benzoic acid Traditional Name: 3-hydroxy-4-(methacrylamidomethyl)benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-7(2)11(15)13-6-9-4-3-8(12(16)17)5-10(9)14/h3-5,14H,1,6H2,2H3,(H,13,15)(H,16,17)