3-azanyl-5-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-carbamoyl]benzoic acid

Systemtic Name: 3-azanyl-5-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-carbamoyl]benzoic acid Openeye Name: 3-amino-5-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-methyl-carbamoyl]benzoic acid CAS Name: 3-amino-5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylamino]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylcarbamoyl]benzoic acid Traditional Name: 3-amino-5-[(2-hydroxy-1,1-dimethylol-ethyl)-methyl-carbamoyl]benzoic acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC(=CC(=C1)N)C(=O)O)C(CO)(CO)CO

Isomeric SMILES

CN(C(=O)C1=CC(=CC(=C1)N)C(=O)O)C(CO)(CO)CO

InChI

InChI=1S/C13H18N2O6/c1-15(13(5-16,6-17)7-18)11(19)8-2-9(12(20)21)4-10(14)3-8/h2-4,16-18H,5-7,14H2,1H3,(H,20,21)