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

Systemtic Name: ethyl 4-[(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)OCC)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)OCC)C)Cl)O

InChI

InChI=1S/C20H22ClNO5/c1-5-26-16-10-13(9-14(21)19(16)24)7-8-15(23)17-11(3)18(22-12(17)4)20(25)27-6-2/h7-10,22,24H,5-6H2,1-4H3/b8-7+