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

Systemtic Name: ethyl 5-[(2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2E,4E)-2-cyano-1-oxo-5-phenylpenta-2,4-dienyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2E,4E)-2-cyano-5-phenylpenta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-4-26-21(25)18-14(2)19(23-15(18)3)20(24)17(13-22)12-8-11-16-9-6-5-7-10-16/h5-12,23H,4H2,1-3H3/b11-8+,17-12+