O4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester O2-ethyl ester Formula: C18H18BrFN2O5 MolecularWeight: 441.248323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C18H18BrFN2O5/c1-4-26-18(25)16-9(2)15(10(3)21-16)17(24)27-8-14(23)22-13-6-5-11(19)7-12(13)20/h5-7,21H,4,8H2,1-3H3,(H,22,23)