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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(4-ethoxyheptan-4-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(1-ethoxy-1-propyl-butyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(4-ethoxyheptan-4-yl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(4-ethoxyheptan-4-yl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(1-ethoxy-1-propyl-butyl)triazole-4-carboxylic acid ethyl ester Formula: C23H32N4O8 MolecularWeight: 492.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(N1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OCC

Isomeric SMILES

CCCC(CCC)(N1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OCC

InChI

InChI=1S/C23H32N4O8/c1-7-11-23(12-8-2,35-10-4)27-24-19(20(25-27)22(29)34-9-3)21(28)15-13-17(32-5)18(33-6)14-16(15)26(30)31/h13-14H,7-12H2,1-6H3