(E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate

Systemtic Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate Openeye Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-butenoate IUPAC Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)[O-])/C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H13NO4/c1-8(10(7-14)13(15)16)9-4-5-11(17-2)12(6-9)18-3/h4-6H,1-3H3,(H,15,16)/p-1/b10-8+