ethyl 3-[[3-bromanyl-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[[3-bromanyl-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-(2-nitrophenyl)-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C26H24BrN3O5 MolecularWeight: 538.38986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCC)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCC)C5CC5

InChI

InChI=1S/C26H24BrN3O5/c1-3-21-28-23(16-10-11-16)24(26(31)34-4-2)29(21)14-15-9-12-20-18(13-15)22(27)25(35-20)17-7-5-6-8-19(17)30(32)33/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3