3-cyano-2-oxidanylidene-4-(3-phenoxyphenyl)butanoic acid

Systemtic Name: 3-cyano-2-oxidanylidene-4-(3-phenoxyphenyl)butanoic acid Openeye Name: 3-cyano-2-oxo-4-(3-phenoxyphenyl)butanoic acid CAS Name: 3-cyano-2-oxo-4-(3-phenoxyphenyl)butanoic acid IUPAC Name: 3-cyano-2-oxo-4-(3-phenoxyphenyl)butanoic acid Traditional Name: 3-cyano-2-keto-4-(3-phenoxyphenyl)butyric acid Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO4/c18-11-13(16(19)17(20)21)9-12-5-4-8-15(10-12)22-14-6-2-1-3-7-14/h1-8,10,13H,9H2,(H,20,21)