1-azanyl-1-(carboxymethyl)-3-oxidanyl-4-(phenylcarbonyl)-2H-imidazol-1-ium-2-carboxylic acid

Systemtic Name: 1-azanyl-1-(carboxymethyl)-3-oxidanyl-4-(phenylcarbonyl)-2H-imidazol-1-ium-2-carboxylic acid Openeye Name: 1-amino-4-benzoyl-1-(carboxymethyl)-3-hydroxy-2H-imidazol-1-ium-2-carboxylic acid CAS Name: 1-amino-4-benzoyl-1-(carboxymethyl)-3-hydroxy-2H-imidazol-1-ium-2-carboxylic acid IUPAC Name: 1-amino-4-benzoyl-1-(carboxymethyl)-3-hydroxy-2H-imidazol-1-ium-2-carboxylic acid Traditional Name: 1-amino-4-benzoyl-1-(carboxymethyl)-3-hydroxy-4-imidazolin-1-ium-2-carboxylic acid Formula: C13H14N3O6+ MolecularWeight: 308.26676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C[N+](C(N2O)C(=O)O)(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C[N+](C(N2O)C(=O)O)(CC(=O)O)N

InChI

InChI=1S/C13H13N3O6/c14-16(7-10(17)18)6-9(15(22)12(16)13(20)21)11(19)8-4-2-1-3-5-8/h1-6,12,22H,7,14H2,(H-,17,18,20,21)/p+1