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

Systemtic Name: diethyl 1-[4-chloranyl-2-nitro-5-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole-3,5-dicarboxylate Openeye Name: diethyl 1-[4-chloro-2-nitro-5-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-[4-chloro-2-nitro-5-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[4-chloro-2-nitro-5-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-[4-chloro-2-nitro-5-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester Formula: C16H14ClN7O6 MolecularWeight: 435.77866

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=NC=N3

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN7O6/c1-3-29-15(25)13-20-14(16(26)30-4-2)23(21-13)11-6-10(22-8-18-7-19-22)9(17)5-12(11)24(27)28/h5-8H,3-4H2,1-2H3