2-[4-azanyl-2-oxidanylidene-1-(phenylcarbonyl)pyrimidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-azanyl-2-oxidanylidene-1-(phenylcarbonyl)pyrimidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(4-amino-1-benzoyl-2-oxo-pyrimidin-1-ium-1-yl)acetic acid CAS Name: 2-(4-amino-1-benzoyl-2-oxo-1-pyrimidin-1-iumyl)acetic acid IUPAC Name: 2-(4-amino-1-benzoyl-2-oxopyrimidin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-amino-1-benzoyl-2-keto-pyrimidin-1-ium-1-yl)acetic acid Formula: C13H12N3O4+ MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[N+]2(C=CC(=NC2=O)N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[N+]2(C=CC(=NC2=O)N)CC(=O)O

InChI

InChI=1S/C13H11N3O4/c14-10-6-7-16(8-11(17)18,13(20)15-10)12(19)9-4-2-1-3-5-9/h1-7H,8H2,(H2-,14,15,17,18,20)/p+1