(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-4-yl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-4-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-4-yl)-2-cyano-acrylic acid Formula: C11H7NO4 MolecularWeight: 217.17758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C=C(C#N)C(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C11H7NO4/c12-5-8(11(13)14)4-7-2-1-3-9-10(7)16-6-15-9/h1-4H,6H2,(H,13,14)/b8-4+