4-(3-cyanopropoxy)-3-ethoxy-benzoate

Systemtic Name: 4-(3-cyanopropoxy)-3-ethoxy-benzoate Openeye Name: 4-(3-cyanopropoxy)-3-ethoxy-benzoate CAS Name: 4-(3-cyanopropoxy)-3-ethoxybenzoate IUPAC Name: 4-(3-cyanopropoxy)-3-ethoxybenzoate Traditional Name: 4-(3-cyanopropoxy)-3-ethoxy-benzoate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)[O-])OCCCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)[O-])OCCCC#N

InChI

InChI=1S/C13H15NO4/c1-2-17-12-9-10(13(15)16)5-6-11(12)18-8-4-3-7-14/h5-6,9H,2-4,8H2,1H3,(H,15,16)/p-1