3-(3-cyanopropoxy)-4-methoxy-benzoate

Systemtic Name: 3-(3-cyanopropoxy)-4-methoxy-benzoate Openeye Name: 3-(3-cyanopropoxy)-4-methoxy-benzoate CAS Name: 3-(3-cyanopropoxy)-4-methoxybenzoate IUPAC Name: 3-(3-cyanopropoxy)-4-methoxybenzoate Traditional Name: 3-(3-cyanopropoxy)-4-methoxy-benzoate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])OCCCC#N

InChI

InChI=1S/C12H13NO4/c1-16-10-5-4-9(12(14)15)8-11(10)17-7-3-2-6-13/h4-5,8H,2-3,7H2,1H3,(H,14,15)/p-1