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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(1-pentoxycarbonyloxypropyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(1-pentoxycarbonyloxypropyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-[1-[oxo(pentoxy)methoxy]propyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(1-pentoxycarbonyloxypropyl)triazole-4-carboxylate Traditional Name: 2-(1-amoxycarbonyloxypropyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C23H30N4O10 MolecularWeight: 522.5051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O10/c1-6-9-10-11-36-23(30)37-18(7-2)26-24-19(20(25-26)22(29)35-8-3)21(28)14-12-16(33-4)17(34-5)13-15(14)27(31)32/h12-13,18H,6-11H2,1-5H3