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

Systemtic Name: 4-[(E)-3-(4-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(4-bromo-2-fluoro-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(4-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(4-bromo-2-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(4-bromo-2-fluoro-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C16H13BrFNO3 MolecularWeight: 366.181723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=C(C=C(C=C2)Br)F)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=C(C=C(C=C2)Br)F)C)C(=O)O

InChI

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