3-(2,2-dicyanoethenyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-(2,2-dicyanoethenyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-(2,2-dicyanovinyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-(2,2-dicyanoethenyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(2,2-dicyanoethenyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbethoxy-3-(2,2-dicyanovinyl)-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C=C(C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C=C(C#N)C#N)C

InChI

InChI=1S/C13H11N3O4/c1-3-20-13(19)10-7(2)9(4-8(5-14)6-15)11(16-10)12(17)18/h4,16H,3H2,1-2H3,(H,17,18)