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

Systemtic Name: 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(4-fluorophenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C16H14FNO3 MolecularWeight: 287.285663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FNO3/c1-9-14(10(2)18-15(9)16(20)21)13(19)8-5-11-3-6-12(17)7-4-11/h3-8,18H,1-2H3,(H,20,21)/b8-5+