methyl 3,5-dinitro-4-piperazin-4-ium-1-yl-benzoate

Systemtic Name: methyl 3,5-dinitro-4-piperazin-4-ium-1-yl-benzoate Openeye Name: methyl 3,5-dinitro-4-piperazin-4-ium-1-yl-benzoate CAS Name: 3,5-dinitro-4-(1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-piperazin-4-ium-1-ylbenzoate Traditional Name: 3,5-dinitro-4-piperazin-4-ium-1-yl-benzoic acid methyl ester Formula: C12H15N4O6+ MolecularWeight: 311.2707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O6/c1-22-12(17)8-6-9(15(18)19)11(10(7-8)16(20)21)14-4-2-13-3-5-14/h6-7,13H,2-5H2,1H3/p+1