ethyl 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-(4-fluorobenzyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H21FN2O4/c1-4-29-22(26)21-15(3)24(13-16-5-9-18(23)10-6-16)14(2)20(21)17-7-11-19(12-8-17)25(27)28/h5-12H,4,13H2,1-3H3