ethyl 2-chloranyl-4-cyano-1-dodecyl-5-oxidanyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-cyano-1-dodecyl-5-oxidanyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-chloro-4-cyano-1-dodecyl-5-hydroxy-pyrrole-3-carboxylate CAS Name: 2-chloro-4-cyano-1-dodecyl-5-hydroxy-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-cyano-1-dodecyl-5-hydroxypyrrole-3-carboxylate Traditional Name: 2-chloro-4-cyano-5-hydroxy-1-lauryl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H31ClN2O3 MolecularWeight: 382.92474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C(=C1Cl)C(=O)OCC)C#N)O

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C(=C1Cl)C(=O)OCC)C#N)O

InChI

InChI=1S/C20H31ClN2O3/c1-3-5-6-7-8-9-10-11-12-13-14-23-18(21)17(20(25)26-4-2)16(15-22)19(23)24/h24H,3-14H2,1-2H3