4-[2-(3-cyanopropoxy)-5-methyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2-(3-cyanopropoxy)-5-methyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[2-(3-cyanopropoxy)-5-methyl-phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2-(3-cyanopropoxy)-5-methylphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2-(3-cyanopropoxy)-5-methylphenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[2-(3-cyanopropoxy)-5-methyl-phenyl]-2,4-diketo-butyric acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC#N)C(=O)CC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC#N)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C15H15NO5/c1-10-4-5-14(21-7-3-2-6-16)11(8-10)12(17)9-13(18)15(19)20/h4-5,8H,2-3,7,9H2,1H3,(H,19,20)