4-[4-cyano-3-(phenylcarbonyloxy)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-cyano-3-(phenylcarbonyloxy)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-benzoyloxy-4-cyano-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3-benzoyloxy-4-cyanophenyl)-4-oxobutanoic acid IUPAC Name: 4-(3-benzoyloxy-4-cyanophenyl)-4-oxobutanoic acid Traditional Name: 4-(3-benzoyloxy-4-cyano-phenyl)-4-keto-butyric acid Formula: C18H13NO5 MolecularWeight: 323.29952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CCC(=O)O)C#N

InChI

InChI=1S/C18H13NO5/c19-11-14-7-6-13(15(20)8-9-17(21)22)10-16(14)24-18(23)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,22)