(4-nitrophenyl) 4-[(Z)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[(Z)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[(Z)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate CAS Name: 4-[(Z)-amino(nitroimino)methyl]-1-piperazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(Z)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate Traditional Name: 4-[(Z)-N'-nitroamidino]piperazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C12H14N6O6 MolecularWeight: 338.27616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=N[N+](=O)[O-])N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1/C(=N\[N+](=O)[O-])/N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O6/c13-11(14-18(22)23)15-5-7-16(8-6-15)12(19)24-10-3-1-9(2-4-10)17(20)21/h1-4H,5-8H2,(H2,13,14)