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

Systemtic Name: 4-[3-(3-cyanopropoxy)-5-oxidanyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-(3-cyanopropoxy)-5-hydroxy-phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-(3-cyanopropoxy)-5-hydroxyphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-(3-cyanopropoxy)-5-hydroxyphenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-(3-cyanopropoxy)-5-hydroxy-phenyl]-2,4-diketo-butyric acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1O)OCCCC#N)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1O)OCCCC#N)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C14H13NO6/c15-3-1-2-4-21-11-6-9(5-10(16)7-11)12(17)8-13(18)14(19)20/h5-7,16H,1-2,4,8H2,(H,19,20)