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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=C(C(=C(N2)C)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)18-11(3)17(12(4)22-18)20(25)27-6-2/h7-10,22,24H,5-6H2,1-4H3/b8-7+