ethyl 4-[(2E,4Z)-4-chloranyl-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(2E,4Z)-4-chloranyl-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(2E,4Z)-4-chloro-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(2E,4Z)-4-chloro-2-cyano-1-oxo-5-phenylpenta-2,4-dienyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2E,4Z)-4-chloro-2-cyano-5-phenylpenta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(2E,4Z)-4-chloro-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC(=CC2=CC=CC=C2)Cl)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C(=C/C2=CC=CC=C2)/Cl)/C#N)C)C

InChI

InChI=1S/C21H19ClN2O3/c1-4-27-21(26)19-14(3)24-13(2)18(19)20(25)16(12-23)11-17(22)10-15-8-6-5-7-9-15/h5-11,24H,4H2,1-3H3/b16-11+,17-10-