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

Systemtic Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-[(5-methyl-2-nitro-3-oxidanyl-phenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-[(3-hydroxy-5-methyl-2-nitro-phenyl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[(3-hydroxy-5-methyl-2-nitrophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-hydroxy-5-methyl-2-nitrophenyl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-(3-hydroxy-5-methyl-2-nitro-benzyl)-1-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(N=N1)CC2=CC=C(C=C2)OC)CC3=C(C(=CC(=C3)C)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)CC3=C(C(=CC(=C3)C)O)[N+](=O)[O-]

InChI

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