3-[5-(2,2-dicyanoethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-(2,2-dicyanoethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-(2,2-dicyanovinyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-(2,2-dicyanoethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-(2,2-dicyanoethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-(2,2-dicyanovinyl)-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C=C(C#N)C#N

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)C=C(C#N)C#N

InChI

InChI=1S/C13H13N3O2/c1-8-11(3-4-13(17)18)9(2)16-12(8)5-10(6-14)7-15/h5,16H,3-4H2,1-2H3,(H,17,18)