(E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-acrylic acid Formula: C11H6ClNO4 MolecularWeight: 251.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)O)Cl

InChI

InChI=1S/C11H6ClNO4/c12-8-3-10-9(16-5-17-10)2-6(8)1-7(4-13)11(14)15/h1-3H,5H2,(H,14,15)/b7-1+