tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazine-1-carboxylate Openeye Name: tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazine-1-carboxylate CAS Name: 3-nitro-4-(4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-nitro-4-pyrimidin-4-ylpiperazine-1-carboxylate Traditional Name: 3-nitro-4-(4-pyrimidyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)[N+](=O)[O-])C2=NC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)[N+](=O)[O-])C2=NC=NC=C2

InChI

InChI=1S/C13H19N5O4/c1-13(2,3)22-12(19)16-6-7-17(11(8-16)18(20)21)10-4-5-14-9-15-10/h4-5,9,11H,6-8H2,1-3H3