2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid Formula: C15H14N3O4+ MolecularWeight: 300.28936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4/c16-14(20)10-4-3-7-18(8-10)9-13(19)17-12-6-2-1-5-11(12)15(21)22/h1-8H,9H2,(H3-,16,17,19,20,21,22)/p+1