1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-5-bromanyl-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-5-bromanyl-pyridin-1-ium-3-carboxylic acid Openeye Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid Formula: C14H11BrNO5+ MolecularWeight: 353.14484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)O)O

InChI

InChI=1S/C14H10BrNO5/c15-10-3-9(14(20)21)5-16(6-10)7-13(19)8-1-2-11(17)12(18)4-8/h1-6H,7H2,(H2-,17,18,19,20,21)/p+1