ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(hexoxycarbonyloxymethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(hexoxycarbonyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-[[hexoxy(oxo)methoxy]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C22H28N4O10 MolecularWeight: 508.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCCCCOC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H28N4O10/c1-5-7-8-9-10-35-22(29)36-13-25-23-18(19(24-25)21(28)34-6-2)20(27)14-11-16(32-3)17(33-4)12-15(14)26(30)31/h11-12H,5-10,13H2,1-4H3