methyl 4-ethyl-2-methanoyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-methanoyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-ethyl-2-formyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-formyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(2-phenylethynyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO3/c1-3-13-14(10-9-12-7-5-4-6-8-12)18-15(11-19)16(13)17(20)21-2/h4-8,11,18H,3H2,1-2H3