4-acetamido-3-[2,3-bis(oxidanyl)propanoylamino]benzoic acid

Systemtic Name: 4-acetamido-3-[2,3-bis(oxidanyl)propanoylamino]benzoic acid Openeye Name: 4-acetamido-3-(2,3-dihydroxypropanoylamino)benzoic acid CAS Name: 4-acetamido-3-[(2,3-dihydroxy-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-acetamido-3-(2,3-dihydroxypropanoylamino)benzoic acid Traditional Name: 4-acetamido-3-(glyceroylamino)benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CO)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CO)O

InChI

InChI=1S/C12H14N2O6/c1-6(16)13-8-3-2-7(12(19)20)4-9(8)14-11(18)10(17)5-15/h2-4,10,15,17H,5H2,1H3,(H,13,16)(H,14,18)(H,19,20)