3-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-4-oxidanyl-benzoic acid

Systemtic Name: 3-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-4-oxidanyl-benzoic acid Openeye Name: 3-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-4-hydroxy-benzoic acid CAS Name: 3-[[1-amino-1-(carboxymethyl)-2-imidazol-1-iumyl]-oxomethyl]-4-hydroxybenzoic acid IUPAC Name: 3-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-4-hydroxybenzoic acid Traditional Name: 3-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-4-hydroxy-benzoic acid Formula: C13H12N3O6+ MolecularWeight: 306.25088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6/c14-16(6-10(18)19)4-3-15-12(16)11(20)8-5-7(13(21)22)1-2-9(8)17/h1-5H,6,14H2,(H2-,17,18,19,20,21,22)/p+1