2-[[1-(cyanomethyl)imidazol-1-ium-1-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(cyanomethyl)imidazol-1-ium-1-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(cyanomethyl)imidazol-1-ium-1-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(cyanomethyl)-1-imidazol-1-iumyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(cyanomethyl)imidazol-1-ium-1-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(cyanomethyl)imidazol-1-ium-1-yl]carbamoyl]benzoic acid Formula: C13H11N4O3+ MolecularWeight: 271.25144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3/c14-5-7-17(8-6-15-9-17)16-12(18)10-3-1-2-4-11(10)13(19)20/h1-4,6,8-9H,7H2,(H-,16,18,19,20)/p+1