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

Systemtic Name: 4-[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(3-bromo-4-fluoro-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C16H12BrFNO3- MolecularWeight: 365.173783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=C(C=C2)F)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=C(C=C2)F)Br)C)C(=O)[O-]

InChI

InChI=1S/C16H13BrFNO3/c1-8-14(9(2)19-15(8)16(21)22)13(20)6-4-10-3-5-12(18)11(17)7-10/h3-7,19H,1-2H3,(H,21,22)/p-1/b6-4+