4-[2,3-bis(oxidanyl)phenyl]carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-[2,3-bis(oxidanyl)phenyl]carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(2,3-dihydroxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(2,3-dihydroxyphenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(2,3-dihydroxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(2,3-dihydroxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C(=CC=C3)O)O

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C(=CC=C3)O)O

InChI

InChI=1S/C21H22N2O8/c24-13-8-6-12(7-9-13)19(27)22-15-11-23(21(29)30)10-2-5-17(15)31-20(28)14-3-1-4-16(25)18(14)26/h1,3-4,6-9,15,17,24-26H,2,5,10-11H2,(H,22,27)(H,29,30)