4-[di(propan-2-yl)-propyl-azaniumyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[di(propan-2-yl)-propyl-azaniumyl]-3,5-dinitro-benzoate Openeye Name: 4-[diisopropyl(propyl)ammonio]-3,5-dinitro-benzoate CAS Name: 4-[di(propan-2-yl)-propylammonio]-3,5-dinitrobenzoate IUPAC Name: 4-[di(propan-2-yl)-propylazaniumyl]-3,5-dinitrobenzoate Traditional Name: 4-[diisopropyl(propyl)ammonio]-3,5-dinitro-benzoate Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])(C(C)C)C(C)C

Isomeric SMILES

CCC[N+](C1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])(C(C)C)C(C)C

InChI

InChI=1S/C16H23N3O6/c1-6-7-19(10(2)3,11(4)5)15-13(17(22)23)8-12(16(20)21)9-14(15)18(24)25/h8-11H,6-7H2,1-5H3