2-[1-[[3,4-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[[3,4-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[(3,4-dihydroxybenzoyl)amino]imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-[(3,4-dihydroxybenzoyl)amino]imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(protocatechuoylamino)imidazol-1-ium-1-yl]acetic acid Formula: C12H12N3O5+ MolecularWeight: 278.24078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N[N+]2(C=CN=C2)CC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[N+]2(C=CN=C2)CC(=O)O)O)O

InChI

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