tert-butyl N-[2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]-3-piperidyl]carbamate CAS Name: N-[1-[(E)-amino(nitroimino)methyl]-2-ethoxy-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]carbamate Traditional Name: N-[2-ethoxy-1-[(E)-N'-nitroamidino]-3-piperidyl]carbamic acid tert-butyl ester Formula: C13H25N5O5 MolecularWeight: 331.3681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N[N+](=O)[O-])N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1C(CCCN1/C(=N/[N+](=O)[O-])/N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H25N5O5/c1-5-22-10-9(15-12(19)23-13(2,3)4)7-6-8-17(10)11(14)16-18(20)21/h9-10H,5-8H2,1-4H3,(H2,14,16)(H,15,19)