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

Systemtic Name: 3-azanyl-5-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-amino-5-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamoyl]benzoic acid CAS Name: 3-amino-5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-amino-5-[(2-hydroxy-1,1-dimethylol-ethyl)carbamoyl]benzoic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)N)C(=O)NC(CO)(CO)CO

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)N)C(=O)NC(CO)(CO)CO

InChI

InChI=1S/C12H16N2O6/c13-9-2-7(1-8(3-9)11(19)20)10(18)14-12(4-15,5-16)6-17/h1-3,15-17H,4-6,13H2,(H,14,18)(H,19,20)