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

Systemtic Name: ethyl 2-(butanoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(butanoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(1-oxobutoxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoyloxymethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(butyryloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C19H22N4O9 MolecularWeight: 450.39938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O9/c1-5-7-15(24)32-10-22-20-16(17(21-22)19(26)31-6-2)18(25)11-8-13(29-3)14(30-4)9-12(11)23(27)28/h8-9H,5-7,10H2,1-4H3