2-(4-azanyl-2-oxidanylidene-1-phenylmethoxycarbonyl-pyrimidin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-1-phenylmethoxycarbonyl-pyrimidin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-amino-1-benzyloxycarbonyl-2-oxo-pyrimidin-1-ium-1-yl)acetic acid CAS Name: 2-(4-amino-2-oxo-1-phenylmethoxycarbonyl-1-pyrimidin-1-iumyl)acetic acid IUPAC Name: 2-(4-amino-2-oxo-1-phenylmethoxycarbonylpyrimidin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-amino-1-carbobenzoxy-2-keto-pyrimidin-1-ium-1-yl)acetic acid Formula: C14H14N3O5+ MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c15-11-6-7-17(8-12(18)19,13(20)16-11)14(21)22-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2-,15,16,18,19,20)/p+1