4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)N

InChI

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