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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(3-methoxypentan-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(1-ethyl-1-methoxy-propyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(3-methoxypentan-3-yl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(3-methoxypentan-3-yl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(1-ethyl-1-methoxy-propyl)triazole-4-carboxylic acid ethyl ester Formula: C20H26N4O8 MolecularWeight: 450.44244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O8/c1-7-20(8-2,31-6)24-21-16(17(22-24)19(26)32-9-3)18(25)12-10-14(29-4)15(30-5)11-13(12)23(27)28/h10-11H,7-9H2,1-6H3