4-butoxy-3-cyano-benzoic acid

Systemtic Name: 4-butoxy-3-cyano-benzoic acid Openeye Name: 4-butoxy-3-cyano-benzoic acid CAS Name: 4-butoxy-3-cyanobenzoic acid IUPAC Name: 4-butoxy-3-cyanobenzoic acid Traditional Name: 4-butoxy-3-cyano-benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C12H13NO3/c1-2-3-6-16-11-5-4-9(12(14)15)7-10(11)8-13/h4-5,7H,2-3,6H2,1H3,(H,14,15)