tert-butyl 1-(5-nitropyridin-2-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(5-nitropyridin-2-yl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(5-nitro-2-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(5-nitro-2-pyridinyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(5-nitropyridin-2-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(5-nitro-2-pyridyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N4O4/c1-14(2,3)22-13(19)18(8-6-15-7-9-18)12-5-4-11(10-16-12)17(20)21/h4-5,10,15H,6-9H2,1-3H3/q+1