2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-[(4-cyanophenoxy)methyl]-3-ethoxy-3-keto-propionic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

CCOC(=O)C(COC1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C13H13NO5/c1-2-18-13(17)11(12(15)16)8-19-10-5-3-9(7-14)4-6-10/h3-6,11H,2,8H2,1H3,(H,15,16)