diethyl 6-bromanyl-3-phenyl-4,6-dihydrocyclopenta[d][1,2,3]triazole-5,5-dicarboxylate

Systemtic Name: diethyl 6-bromanyl-3-phenyl-4,6-dihydrocyclopenta[d][1,2,3]triazole-5,5-dicarboxylate Openeye Name: diethyl 6-bromo-3-phenyl-4,6-dihydrocyclopenta[d]triazole-5,5-dicarboxylate CAS Name: 6-bromo-3-phenyl-4,6-dihydrocyclopenta[d]triazole-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-bromo-3-phenyl-4,6-dihydrocyclopenta[d]triazole-5,5-dicarboxylate Traditional Name: 6-bromo-3-phenyl-4,6-dihydrocyclopenta[d]triazole-5,5-dicarboxylic acid diethyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C1Br)N=NN2C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(C1Br)N=NN2C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C17H18BrN3O4/c1-3-24-15(22)17(16(23)25-4-2)10-12-13(14(17)18)19-20-21(12)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3