2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-5-methyl-benzoic acid Openeye Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-5-methyl-benzoic acid CAS Name: 2-[[[1-(carboxymethyl)-1-imidazol-1-iumyl]amino]-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-5-methylbenzoic acid Traditional Name: 2-[[1-(carboxymethyl)imidazol-1-ium-1-yl]carbamoyl]-5-methyl-benzoic acid Formula: C14H14N3O5+ MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N[N+]2(C=CN=C2)CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N[N+]2(C=CN=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13N3O5/c1-9-2-3-10(11(6-9)14(21)22)13(20)16-17(7-12(18)19)5-4-15-8-17/h2-6,8H,7H2,1H3,(H2-,16,18,19,20,21,22)/p+1