3-cyano-1-ethyl-5-methyl-4-(phenylcarbonyl)pyrrole-2-carboxylic acid

Systemtic Name: 3-cyano-1-ethyl-5-methyl-4-(phenylcarbonyl)pyrrole-2-carboxylic acid Openeye Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-pyrrole-2-carboxylic acid CAS Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-benzoyl-3-cyano-1-ethyl-5-methylpyrrole-2-carboxylic acid Traditional Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-pyrrole-2-carboxylic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)O)C#N)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)O)C#N)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H14N2O3/c1-3-18-10(2)13(12(9-17)14(18)16(20)21)15(19)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,20,21)