4-[3-(2-cyanoethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-(2-cyanoethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-(2-cyanoethyl)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-(2-cyanoethyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-(2-cyanoethyl)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-(2-cyanoethyl)phenyl]-2,4-diketo-butyric acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c14-6-2-4-9-3-1-5-10(7-9)11(15)8-12(16)13(17)18/h1,3,5,7H,2,4,8H2,(H,17,18)