[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO4/c15-11-5-3-4-10(8-11)13(17)9-20-14(18)12-6-1-2-7-16(12)19/h1-8H,9H2