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

Systemtic Name: ethyl 4-[(E)-3-(4-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-bromo-2-fluoro-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(4-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-bromo-2-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-bromo-2-fluoro-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C18H17BrFNO3/c1-4-24-18(23)17-10(2)16(11(3)21-17)15(22)8-6-12-5-7-13(19)9-14(12)20/h5-9,21H,4H2,1-3H3/b8-6+