tert-butyl 1-(2,4-dinitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: tert-butyl 1-(2,4-dinitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: tert-butyl 1-(2,4-dinitrophenyl)triazole-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-4-triazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,4-dinitrophenyl)triazole-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)triazole-4-carboxylic acid tert-butyl ester Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6/c1-13(2,3)24-12(19)9-7-16(15-14-9)10-5-4-8(17(20)21)6-11(10)18(22)23/h4-7H,1-3H3