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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-6-29-21(26)18-12(3)23-11(2)17(18)19(24)14(10-22)7-13-8-15(27-4)20(25)16(9-13)28-5/h7-9,23,25H,6H2,1-5H3/b14-7+