diethyl 5-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(2-bromophenyl)-4-triazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br)C(=O)OCC

InChI

InChI=1S/C21H19BrN4O5/c1-3-30-20(28)13-9-14(21(29)31-4-2)11-15(10-13)23-19(27)17-12-26(25-24-17)18-8-6-5-7-16(18)22/h5-12H,3-4H2,1-2H3,(H,23,27)