methyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Openeye Name: methyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-amino(nitroimino)methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-N'-nitroamidino]piperazine-1-carboxylic acid methyl ester Formula: C7H13N5O4 MolecularWeight: 231.20922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N5O4/c1-16-7(13)11-4-2-10(3-5-11)6(8)9-12(14)15/h2-5H2,1H3,(H2,8,9)