5-azanyl-N3-[2,3-bis(oxidanyl)propyl]-N1-(2-hydroxyethyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-azanyl-N3-[2,3-bis(oxidanyl)propyl]-N1-(2-hydroxyethyl)benzene-1,3-dicarboxamide Openeye Name: 5-amino-N3-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)benzene-1,3-dicarboxamide CAS Name: 5-amino-N3-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)benzene-1,3-dicarboxamide IUPAC Name: 5-amino-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)benzene-1,3-dicarboxamide Traditional Name: 5-amino-N'-glyceryl-N-(2-hydroxyethyl)isophthalamide Formula: C13H19N3O5 MolecularWeight: 297.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCC(CO)O)N)C(=O)NCCO

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCC(CO)O)N)C(=O)NCCO

InChI

InChI=1S/C13H19N3O5/c14-10-4-8(12(20)15-1-2-17)3-9(5-10)13(21)16-6-11(19)7-18/h3-5,11,17-19H,1-2,6-7,14H2,(H,15,20)(H,16,21)