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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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