4-azanyl-2-[2,3-bis(oxidanyl)propyl]benzoic acid

Systemtic Name: 4-azanyl-2-[2,3-bis(oxidanyl)propyl]benzoic acid Openeye Name: 4-amino-2-(2,3-dihydroxypropyl)benzoic acid CAS Name: 4-amino-2-(2,3-dihydroxypropyl)benzoic acid IUPAC Name: 4-amino-2-(2,3-dihydroxypropyl)benzoic acid Traditional Name: 4-amino-2-glyceryl-benzoic acid Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4/c11-7-1-2-9(10(14)15)6(3-7)4-8(13)5-12/h1-3,8,12-13H,4-5,11H2,(H,14,15)