diethyl 1-(4-chloranyl-5-imidazol-1-yl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: diethyl 1-(4-chloranyl-5-imidazol-1-yl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: diethyl 1-(4-chloro-5-imidazol-1-yl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-[4-chloro-5-(1-imidazolyl)-2-nitrophenyl]-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-chloro-5-imidazol-1-yl-2-nitrophenyl)-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(4-chloro-5-imidazol-1-yl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester Formula: C17H15ClN6O6 MolecularWeight: 434.7906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)C(=O)OCC)C2=CC(=C(C=C2[N+](=O)[O-])Cl)N3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)C(=O)OCC)C2=CC(=C(C=C2[N+](=O)[O-])Cl)N3C=CN=C3

InChI

InChI=1S/C17H15ClN6O6/c1-3-29-16(25)14-20-15(17(26)30-4-2)23(21-14)12-8-11(22-6-5-19-9-22)10(18)7-13(12)24(27)28/h5-9H,3-4H2,1-2H3