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

Systemtic Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 1-[(4-methoxyphenyl)methyl]-5-[(3-methyl-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 5-(3-methyl-2-nitro-benzoyl)-1-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-4-31-21(27)17-19(20(26)16-7-5-6-13(2)18(16)25(28)29)24(23-22-17)12-14-8-10-15(30-3)11-9-14/h5-11H,4,12H2,1-3H3