ethyl 1-(2,4-dinitrophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(2,4-dinitrophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(2,4-dinitrophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dinitrophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C12H11N5O6 MolecularWeight: 321.24564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H11N5O6/c1-3-23-12(18)11-7(2)15(14-13-11)9-5-4-8(16(19)20)6-10(9)17(21)22/h4-6H,3H2,1-2H3