propan-2-yl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Openeye Name: isopropyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-amino(nitroimino)methyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-N'-nitroamidino]piperazine-1-carboxylic acid isopropyl ester Formula: C9H17N5O4 MolecularWeight: 259.26238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1)C(=N[N+](=O)[O-])N

Isomeric SMILES

CC(C)OC(=O)N1CCN(CC1)/C(=N/[N+](=O)[O-])/N

InChI

InChI=1S/C9H17N5O4/c1-7(2)18-9(15)13-5-3-12(4-6-13)8(10)11-14(16)17/h7H,3-6H2,1-2H3,(H2,10,11)