4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxo-pentanoic acid CAS Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoic acid IUPAC Name: 4-acetamido-2-cyano-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoic acid Traditional Name: 4-acetamido-4-carbethoxy-2-cyano-5-ethoxy-5-keto-valeric acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C#N)C(=O)O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(C#N)C(=O)O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C13H18N2O7/c1-4-21-11(19)13(15-8(3)16,12(20)22-5-2)6-9(7-14)10(17)18/h9H,4-6H2,1-3H3,(H,15,16)(H,17,18)