4-[3-[1-(2-cyano-3-methyl-phenyl)ethoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-[1-(2-cyano-3-methyl-phenyl)ethoxy]phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-[1-(2-cyano-3-methyl-phenyl)ethoxy]phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-[1-(2-cyano-3-methylphenyl)ethoxy]phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-[1-(2-cyano-3-methylphenyl)ethoxy]phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-[1-(2-cyano-3-methyl-phenyl)ethoxy]phenyl]-2,4-diketo-butyric acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)OC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)OC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)C#N

InChI

InChI=1S/C20H17NO5/c1-12-5-3-8-16(17(12)11-21)13(2)26-15-7-4-6-14(9-15)18(22)10-19(23)20(24)25/h3-9,13H,10H2,1-2H3,(H,24,25)