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

Systemtic Name: methyl 4-ethyl-2-methanoyl-5-(5-oxidanylpent-1-ynyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-ethyl-2-formyl-5-(5-hydroxypent-1-ynyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(5-hydroxypent-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-formyl-5-(5-hydroxypent-1-ynyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(5-hydroxypent-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C#CCCCO

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C#CCCCO

InChI

InChI=1S/C14H17NO4/c1-3-10-11(7-5-4-6-8-16)15-12(9-17)13(10)14(18)19-2/h9,15-16H,3-4,6,8H2,1-2H3