diethyl 2-(bromomethyl)-1-[(4-nitrophenyl)methyl]imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(bromomethyl)-1-[(4-nitrophenyl)methyl]imidazole-4,5-dicarboxylate Openeye Name: diethyl 2-(bromomethyl)-1-[(4-nitrophenyl)methyl]imidazole-4,5-dicarboxylate CAS Name: 2-(bromomethyl)-1-[(4-nitrophenyl)methyl]imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(bromomethyl)-1-[(4-nitrophenyl)methyl]imidazole-4,5-dicarboxylate Traditional Name: 2-(bromomethyl)-1-(4-nitrobenzyl)imidazole-4,5-dicarboxylic acid diethyl ester Formula: C17H18BrN3O6 MolecularWeight: 440.24532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N1)CBr)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N1)CBr)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H18BrN3O6/c1-3-26-16(22)14-15(17(23)27-4-2)20(13(9-18)19-14)10-11-5-7-12(8-6-11)21(24)25/h5-8H,3-4,9-10H2,1-2H3