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

Systemtic Name: ethyl 2-(butoxycarbonyloxymethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(butoxycarbonyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 2-[[butoxy(oxo)methoxy]methyl]-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butoxycarbonyloxymethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(butoxycarbonyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C20H24N4O10 MolecularWeight: 480.42536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O10/c1-5-7-8-33-20(27)34-11-23-21-16(17(22-23)19(26)32-6-2)18(25)12-9-14(30-3)15(31-4)10-13(12)24(28)29/h9-10H,5-8,11H2,1-4H3