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

Systemtic Name: ethyl 3-[[3-bromanyl-2-(2-nitrophenyl)-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-(2-nitrophenyl)-4-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-2-(2-nitrophenyl)-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C26H24BrN3O5 MolecularWeight: 543.354642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C(=O)OCC)C5CC5

Isomeric SMILES

CCOC(=O)C1=C([15N]=[13C]([15N]1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])[13CH2][13CH3])C5CC5

InChI

InChI=1S/C26H24BrN3O5/c1-3-20-28-23(15-12-13-15)24(26(31)34-4-2)29(20)14-16-8-7-11-19-21(16)22(27)25(35-19)17-9-5-6-10-18(17)30(32)33/h5-11,15H,3-4,12-14H2,1-2H3/i1+1,3+1,20+1,28+1,29+1