ethyl 3-[(4-methoxyphenyl)methyl]-5-[(4-methyl-2-nitro-phenyl)-oxidanyl-methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)methyl]-5-[(4-methyl-2-nitro-phenyl)-oxidanyl-methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-[hydroxy-(4-methyl-2-nitro-phenyl)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[hydroxy-(4-methyl-2-nitrophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[hydroxy-(4-methyl-2-nitrophenyl)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-[hydroxy-(4-methyl-2-nitro-phenyl)methyl]-3-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NN1CC2=CC=C(C=C2)OC)C(C3=C(C=C(C=C3)C)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(N=NN1CC2=CC=C(C=C2)OC)C(C3=C(C=C(C=C3)C)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N4O6/c1-4-31-21(27)19-18(20(26)16-10-5-13(2)11-17(16)25(28)29)22-23-24(19)12-14-6-8-15(30-3)9-7-14/h5-11,20,26H,4,12H2,1-3H3