5-bromanyl-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 5-bromanyl-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 5-bromo-1-[2-(2-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 5-bromo-1-[2-(2-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-bromo-1-[2-(2-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 5-bromo-1-[2-keto-2-(2-nitrophenyl)ethyl]pyridin-1-ium-3-carboxylic acid Formula: C14H10BrN2O5+ MolecularWeight: 366.1436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O5/c15-10-5-9(14(19)20)6-16(7-10)8-13(18)11-3-1-2-4-12(11)17(21)22/h1-7H,8H2/p+1