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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(4-ethylpiperazino)-3,5-dinitro-benzoic acid ethyl ester Formula: C15H20N4O6 MolecularWeight: 352.3425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(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