2-(2-oxidanylideneazepan-3-yl)propanedioic acid

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)propanedioic acid Openeye Name: 2-(2-oxoazepan-3-yl)propanedioic acid CAS Name: 2-(2-oxo-3-azepanyl)propanedioic acid IUPAC Name: 2-(2-oxoazepan-3-yl)propanedioic acid Traditional Name: 2-(2-ketoazepan-3-yl)malonic acid Formula: C9H13NO5 MolecularWeight: 215.20322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C(C(=O)O)C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H13NO5/c11-7-5(3-1-2-4-10-7)6(8(12)13)9(14)15/h5-6H,1-4H2,(H,10,11)(H,12,13)(H,14,15)