(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoate IUPAC Name: (E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylate Formula: C12H8NO5- MolecularWeight: 246.19562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C12H9NO5/c1-16-9-3-7(2-8(5-13)12(14)15)4-10-11(9)18-6-17-10/h2-4H,6H2,1H3,(H,14,15)/p-1/b8-2+