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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(dodecanoyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(dodecanoyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(1-oxododecoxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(dodecanoyloxymethyl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(lauroyloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C27H38N4O9 MolecularWeight: 562.61202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O9/c1-5-7-8-9-10-11-12-13-14-15-23(32)40-18-30-28-24(25(29-30)27(34)39-6-2)26(33)19-16-21(37-3)22(38-4)17-20(19)31(35)36/h16-17H,5-15,18H2,1-4H3