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

Systemtic Name: ethyl 5-(4-methanoyl-2-nitro-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4-formyl-2-nitro-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[(4-formyl-2-nitrophenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-formyl-2-nitrobenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-(4-formyl-2-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7/c1-3-32-21(28)19-18(20(27)16-9-6-14(12-26)10-17(16)25(29)30)22-23-24(19)11-13-4-7-15(31-2)8-5-13/h4-10,12H,3,11H2,1-2H3