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

Systemtic Name: diethyl 1-(4-chloranyl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: diethyl 1-(4-chloro-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-(4-chloro-2-nitrophenyl)-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-chloro-2-nitrophenyl)-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(4-chloro-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester Formula: C14H13ClN4O6 MolecularWeight: 368.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O6/c1-3-24-13(20)11-16-12(14(21)25-4-2)18(17-11)9-6-5-8(15)7-10(9)19(22)23/h5-7H,3-4H2,1-2H3