3,6-bis(oxidanylidene)-2-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 3,6-bis(oxidanylidene)-2-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 2-benzyl-3,6-dioxo-piperidine-4-carboxylic acid CAS Name: 3,6-dioxo-2-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 2-benzyl-3,6-dioxopiperidine-4-carboxylic acid Traditional Name: 2-benzyl-3,6-diketo-isonipecotic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C(NC1=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(C(=O)C(NC1=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO4/c15-11-7-9(13(17)18)12(16)10(14-11)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,15)(H,17,18)