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

Systemtic Name: ethyl 5-(bromomethyl)-1-[(4-fluorophenyl)methyl]-4-nitro-pyrrole-2-carboxylate Openeye Name: ethyl 5-(bromomethyl)-1-[(4-fluorophenyl)methyl]-4-nitro-pyrrole-2-carboxylate CAS Name: 5-(bromomethyl)-1-[(4-fluorophenyl)methyl]-4-nitro-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(bromomethyl)-1-[(4-fluorophenyl)methyl]-4-nitropyrrole-2-carboxylate Traditional Name: 5-(bromomethyl)-1-(4-fluorobenzyl)-4-nitro-pyrrole-2-carboxylic acid ethyl ester Formula: C15H14BrFN2O4 MolecularWeight: 385.185063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1CC2=CC=C(C=C2)F)CBr)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1CC2=CC=C(C=C2)F)CBr)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrFN2O4/c1-2-23-15(20)13-7-12(19(21)22)14(8-16)18(13)9-10-3-5-11(17)6-4-10/h3-7H,2,8-9H2,1H3