(E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acrylic acid Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C=C(C#N)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=C1C)/C=C(\C#N)/C(=O)O)C

InChI

InChI=1S/C12H14N2O2/c1-4-10-7(2)11(14-8(10)3)5-9(6-13)12(15)16/h5,14H,4H2,1-3H3,(H,15,16)/b9-5+