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

Systemtic Name: 4-[2-(3-cyanopropoxy)-3-prop-2-enyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-allyl-2-(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2-(3-cyanopropoxy)-3-prop-2-enylphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2-(3-cyanopropoxy)-3-prop-2-enylphenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3-allyl-2-(3-cyanopropoxy)phenyl]-2,4-diketo-butyric acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1OCCCC#N)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C=CCC1=CC=CC(=C1OCCCC#N)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C17H17NO5/c1-2-6-12-7-5-8-13(14(19)11-15(20)17(21)22)16(12)23-10-4-3-9-18/h2,5,7-8H,1,3-4,6,10-11H2,(H,21,22)