3-azanyl-5-[3,3,3-tris(oxidanyl)propanoylamino]benzoic acid

Systemtic Name: 3-azanyl-5-[3,3,3-tris(oxidanyl)propanoylamino]benzoic acid Openeye Name: 3-amino-5-(3,3,3-trihydroxypropanoylamino)benzoic acid CAS Name: 3-amino-5-[(3,3,3-trihydroxy-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-amino-5-(3,3,3-trihydroxypropanoylamino)benzoic acid Traditional Name: 3-amino-5-(3,3,3-trihydroxypropanoylamino)benzoic acid Formula: C10H12N2O6 MolecularWeight: 256.21208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)NC(=O)CC(O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N)NC(=O)CC(O)(O)O)C(=O)O

InChI

InChI=1S/C10H12N2O6/c11-6-1-5(9(14)15)2-7(3-6)12-8(13)4-10(16,17)18/h1-3,16-18H,4,11H2,(H,12,13)(H,14,15)