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

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

Click to see the large picture

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=CC=N3

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)C(=O)OCC)C2=CC(=C(C=C2[N+](=O)[O-])Cl)N3C=CC=N3

InChI

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