2-[2-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-yl]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[1-amino-1-(carboxymethyl)-2-imidazol-1-iumyl]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-yl]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-yl]-2-keto-ethyl]benzoic acid Formula: C14H14N3O5+ MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c15-17(8-12(19)20)6-5-16-13(17)11(18)7-9-3-1-2-4-10(9)14(21)22/h1-6H,7-8,15H2,(H-,19,20,21,22)/p+1