2-[1-[[3,5-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[[3,5-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[(3,5-dihydroxybenzoyl)amino]imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[[(3,5-dihydroxyphenyl)-oxomethyl]amino]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-[(3,5-dihydroxybenzoyl)amino]imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[(3,5-dihydroxybenzoyl)amino]imidazol-1-ium-1-yl]acetic acid Formula: C12H12N3O5+ MolecularWeight: 278.24078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](C=N1)(CC(=O)O)NC(=O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

C1=C[N+](C=N1)(CC(=O)O)NC(=O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C12H11N3O5/c16-9-3-8(4-10(17)5-9)12(20)14-15(6-11(18)19)2-1-13-7-15/h1-5,7H,6H2,(H3-,14,16,17,18,19,20)/p+1