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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(ethoxycarbonyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(ethoxycarbonyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(ethoxycarbonyloxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(ethoxycarbonyloxymethyl)triazole-4-carboxylate Traditional Name: 2-(carbethoxyoxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C18H20N4O10 MolecularWeight: 452.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)COC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)COC(=O)OCC

InChI

InChI=1S/C18H20N4O10/c1-5-30-17(24)15-14(19-21(20-15)9-32-18(25)31-6-2)16(23)10-7-12(28-3)13(29-4)8-11(10)22(26)27/h7-8H,5-6,9H2,1-4H3