(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoate

Systemtic Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoate Openeye Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoate CAS Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-butenoate IUPAC Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoate Traditional Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoate Formula: C13H10NO4- MolecularWeight: 244.2228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)[O-])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C/C(=C(/C#N)\C(=O)[O-])/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H11NO4/c1-8(10(7-14)13(15)16)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6H,4-5H2,1H3,(H,15,16)/p-1/b10-8+