tert-butyl 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4/c1-18(2,3)28-17(25)22-10-8-21(9-11-22)13-23-12-19-16(20-23)14-4-6-15(7-5-14)24(26)27/h4-7,12H,8-11,13H2,1-3H3