dimethyl 1-[(3-nitrophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(3-nitrophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(3-nitrophenyl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(3-nitrophenyl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(3-nitrophenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(3-nitrobenzyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N4O6/c1-22-12(18)10-11(13(19)23-2)16(15-14-10)7-8-4-3-5-9(6-8)17(20)21/h3-6H,7H2,1-2H3