1-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(5-bromo-2-oxo-1-pyridyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(5-bromo-2-oxo-1-pyridinyl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-bromo-2-oxopyridin-1-yl)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(5-bromo-2-keto-1-pyridyl)acetyl]nipecotic acid Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=C(C=CC2=O)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C=C(C=CC2=O)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O4/c14-10-3-4-11(17)16(7-10)8-12(18)15-5-1-2-9(6-15)13(19)20/h3-4,7,9H,1-2,5-6,8H2,(H,19,20)