3-[[3,4-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrrole-2,4-dicarboxylic acid

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrrole-2,4-dicarboxylic acid Openeye Name: 3-[(3,4-difluorophenyl)methoxy]-1-methyl-pyrrole-2,4-dicarboxylic acid CAS Name: 3-[(3,4-difluorophenyl)methoxy]-1-methylpyrrole-2,4-dicarboxylic acid IUPAC Name: 3-[(3,4-difluorophenyl)methoxy]-1-methylpyrrole-2,4-dicarboxylic acid Traditional Name: 3-(3,4-difluorobenzyl)oxy-1-methyl-pyrrole-2,4-dicarboxylic acid Formula: C14H11F2NO5 MolecularWeight: 311.237646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)O)OCC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=C1C(=O)O)OCC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C14H11F2NO5/c1-17-5-8(13(18)19)12(11(17)14(20)21)22-6-7-2-3-9(15)10(16)4-7/h2-5H,6H2,1H3,(H,18,19)(H,20,21)