ethyl 5-ethyl-1-[(4-fluorophenyl)methyl]-4-nitro-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-ethyl-1-[(4-fluorophenyl)methyl]-4-nitro-pyrrole-2-carboxylate Openeye Name: ethyl 5-ethyl-1-[(4-fluorophenyl)methyl]-4-nitro-pyrrole-2-carboxylate CAS Name: 5-ethyl-1-[(4-fluorophenyl)methyl]-4-nitro-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-1-[(4-fluorophenyl)methyl]-4-nitropyrrole-2-carboxylate Traditional Name: 5-ethyl-1-(4-fluorobenzyl)-4-nitro-pyrrole-2-carboxylic acid ethyl ester Formula: C16H17FN2O4 MolecularWeight: 320.315583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(N1CC2=CC=C(C=C2)F)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN2O4/c1-3-13-14(19(21)22)9-15(16(20)23-4-2)18(13)10-11-5-7-12(17)8-6-11/h5-9H,3-4,10H2,1-2H3