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

Systemtic Name: diethyl 1-(5-methyl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: diethyl 1-(5-methyl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-(5-methyl-2-nitrophenyl)-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(5-methyl-2-nitrophenyl)-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(5-methyl-2-nitro-phenyl)-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester Formula: C15H16N4O6 MolecularWeight: 348.31074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O6/c1-4-24-14(20)12-16-13(15(21)25-5-2)18(17-12)11-8-9(3)6-7-10(11)19(22)23/h6-8H,4-5H2,1-3H3