3-methyl-2-oxidanyl-5-(propanoylamino)benzoate

Systemtic Name: 3-methyl-2-oxidanyl-5-(propanoylamino)benzoate Openeye Name: 2-hydroxy-3-methyl-5-(propanoylamino)benzoate CAS Name: 2-hydroxy-3-methyl-5-(1-oxopropylamino)benzoate IUPAC Name: 2-hydroxy-3-methyl-5-(propanoylamino)benzoate Traditional Name: 2-hydroxy-3-methyl-5-propionamido-benzoate Formula: C11H12NO4- MolecularWeight: 222.21728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C(=C1)C(=O)[O-])O)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C(=C1)C(=O)[O-])O)C

InChI

InChI=1S/C11H13NO4/c1-3-9(13)12-7-4-6(2)10(14)8(5-7)11(15)16/h4-5,14H,3H2,1-2H3,(H,12,13)(H,15,16)/p-1