5-[4-(bromomethyl)phenoxy]-2,6-bis(oxidanylidene)piperidine-3-carboxylic acid

Systemtic Name: 5-[4-(bromomethyl)phenoxy]-2,6-bis(oxidanylidene)piperidine-3-carboxylic acid Openeye Name: 5-[4-(bromomethyl)phenoxy]-2,6-dioxo-piperidine-3-carboxylic acid CAS Name: 5-[4-(bromomethyl)phenoxy]-2,6-dioxo-3-piperidinecarboxylic acid IUPAC Name: 5-[4-(bromomethyl)phenoxy]-2,6-dioxopiperidine-3-carboxylic acid Traditional Name: 5-[4-(bromomethyl)phenoxy]-2,6-diketo-nipecotic acid Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=O)C1OC2=CC=C(C=C2)CBr)C(=O)O

Isomeric SMILES

C1C(C(=O)NC(=O)C1OC2=CC=C(C=C2)CBr)C(=O)O

InChI

InChI=1S/C13H12BrNO5/c14-6-7-1-3-8(4-2-7)20-10-5-9(13(18)19)11(16)15-12(10)17/h1-4,9-10H,5-6H2,(H,18,19)(H,15,16,17)