3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 3-[benzyloxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propanoic acid CAS Name: 3-[(1-oxido-2-pyridin-1-iumyl)-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: 3-[(1-oxidopyridin-1-ium-2-yl)-phenylmethoxycarbonylamino]propanoic acid Traditional Name: 3-[carbobenzoxy-(1-oxidopyridin-1-ium-2-yl)amino]propionic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCC(=O)O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCC(=O)O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H16N2O5/c19-15(20)9-11-17(14-8-4-5-10-18(14)22)16(21)23-12-13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,19,20)