4-cyano-3-(phenylcarbonyloxy)butanoic acid

Systemtic Name: 4-cyano-3-(phenylcarbonyloxy)butanoic acid Openeye Name: 3-benzoyloxy-4-cyano-butanoic acid CAS Name: 3-benzoyloxy-4-cyanobutanoic acid IUPAC Name: 3-benzoyloxy-4-cyanobutanoic acid Traditional Name: 3-benzoyloxy-4-cyano-butyric acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CC#N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CC#N)CC(=O)O

InChI

InChI=1S/C12H11NO4/c13-7-6-10(8-11(14)15)17-12(16)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,15)