ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoic acid ethyl ester Formula: C15H21N4O6+ MolecularWeight: 353.35044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O6/c1-3-16-5-7-17(8-6-16)14-12(18(21)22)9-11(15(20)25-4-2)10-13(14)19(23)24/h9-10H,3-8H2,1-2H3/p+1