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

Systemtic Name: (E)-2-cyano-3-(3,4-dimethylphenyl)but-2-enoate Openeye Name: (E)-2-cyano-3-(3,4-dimethylphenyl)but-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dimethylphenyl)-2-butenoate IUPAC Name: (E)-2-cyano-3-(3,4-dimethylphenyl)but-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dimethylphenyl)but-2-enoate Formula: C13H12NO2- MolecularWeight: 214.23988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C#N)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(\C#N)/C(=O)[O-])/C)C

InChI

InChI=1S/C13H13NO2/c1-8-4-5-11(6-9(8)2)10(3)12(7-14)13(15)16/h4-6H,1-3H3,(H,15,16)/p-1/b12-10+