ethyl 4-[(E)-3-(1-benzofuran-2-yl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(1-benzofuran-2-yl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(benzofuran-2-yl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(2-benzofuranyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(1-benzofuran-2-yl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(benzofuran-2-yl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC2=CC3=CC=CC=C3O2)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C2=CC3=CC=CC=C3O2)/C#N)C)C

InChI

InChI=1S/C21H18N2O4/c1-4-26-21(25)19-13(3)23-12(2)18(19)20(24)15(11-22)10-16-9-14-7-5-6-8-17(14)27-16/h5-10,23H,4H2,1-3H3/b15-10+