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

Systemtic Name: phenyl 4-[azanyl(nitramido)methylidene]piperazin-4-ium-1-carboxylate Openeye Name: phenyl 4-[amino(nitramido)methylene]piperazin-4-ium-1-carboxylate CAS Name: 4-[amino(nitramido)methylidene]-1-piperazin-4-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 4-[amino(nitramido)methylidene]piperazin-4-ium-1-carboxylate Traditional Name: 4-[amino(nitramido)methylene]piperazin-4-ium-1-carboxylic acid phenyl ester Formula: C12H16N5O4+ MolecularWeight: 294.28654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c13-11(14-17(19)20)15-6-8-16(9-7-15)12(18)21-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14)/p+1