3-[2-(3-cyanopropyl)pent-4-enoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(3-cyanopropyl)pent-4-enoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(3-cyanopropyl)pent-4-enoxy]-3-oxo-propanoic acid CAS Name: 3-[2-(3-cyanopropyl)pent-4-enoxy]-3-oxopropanoic acid IUPAC Name: 3-[2-(3-cyanopropyl)pent-4-enoxy]-3-oxopropanoic acid Traditional Name: 3-[2-(3-cyanopropyl)pent-4-enoxy]-3-keto-propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCCC#N)COC(=O)CC(=O)O

Isomeric SMILES

C=CCC(CCCC#N)COC(=O)CC(=O)O

InChI

InChI=1S/C12H17NO4/c1-2-5-10(6-3-4-7-13)9-17-12(16)8-11(14)15/h2,10H,1,3-6,8-9H2,(H,14,15)