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

Systemtic Name: ethyl 5-(4,5-dimethyl-2-nitro-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethyl-2-nitro-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[(4,5-dimethyl-2-nitrophenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethyl-2-nitrobenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-(4,5-dimethyl-2-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6/c1-5-32-22(28)20-19(21(27)17-10-13(2)14(3)11-18(17)26(29)30)23-24-25(20)12-15-6-8-16(31-4)9-7-15/h6-11H,5,12H2,1-4H3