4-[3-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-[(1-oxido-2-pyridin-1-iumyl)methoxy]phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]-2,4-dioxobutanoic acid Traditional Name: 2,4-diketo-4-[3-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]butyric acid Formula: C16H13NO6 MolecularWeight: 315.27752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)COC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)COC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)[O-]

InChI

InChI=1S/C16H13NO6/c18-14(9-15(19)16(20)21)11-4-3-6-13(8-11)23-10-12-5-1-2-7-17(12)22/h1-8H,9-10H2,(H,20,21)