4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoic acid

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-ethylpiperazino)-3,5-dinitro-benzoic acid Formula: C13H16N4O6 MolecularWeight: 324.28934

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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-2-14-3-5-15(6-4-14)12-10(16(20)21)7-9(13(18)19)8-11(12)17(22)23/h7-8H,2-6H2,1H3,(H,18,19)