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

Systemtic Name: 4-[3-(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-(3-cyanopropoxy)phenyl]-2,4-diketo-butyric acid Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5/c15-6-1-2-7-20-11-5-3-4-10(8-11)12(16)9-13(17)14(18)19/h3-5,8H,1-2,7,9H2,(H,18,19)