(4-nitrophenyl) 4-[azanyl(nitramido)methylidene]piperazin-4-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[azanyl(nitramido)methylidene]piperazin-4-ium-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[amino(nitramido)methylene]piperazin-4-ium-1-carboxylate CAS Name: 4-[amino(nitramido)methylidene]-1-piperazin-4-iumcarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[amino(nitramido)methylidene]piperazin-4-ium-1-carboxylate Traditional Name: 4-[amino(nitramido)methylene]piperazin-4-ium-1-carboxylic acid (4-nitrophenyl) ester Formula: C12H15N6O6+ MolecularWeight: 339.2841

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N[N+](=O)[O-])CCN1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[N+](=C(N)N[N+](=O)[O-])CCN1C(=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)/p+1