ethyl 5-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(5-fluoro-2-nitro-phenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(5-fluoro-2-nitrophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(5-fluoro-2-nitro-phenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H17FN2O6 MolecularWeight: 364.325083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H17FN2O6/c1-4-25-17(22)15-9(2)16(19-10(15)3)13(21)8-26-14-7-11(18)5-6-12(14)20(23)24/h5-7,19H,4,8H2,1-3H3