4-(1,3-benzodioxol-5-yl)-4-cyano-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-cyanobutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-cyanobutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-butyric acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CCC(=O)O)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CCC(=O)O)C#N

InChI

InChI=1S/C12H11NO4/c13-6-9(2-4-12(14)15)8-1-3-10-11(5-8)17-7-16-10/h1,3,5,9H,2,4,7H2,(H,14,15)