(4-carboxy-2,6-dinitro-phenyl)-ethyl-(2-methylprop-2-enyl)-propyl-azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-ethyl-(2-methylprop-2-enyl)-propyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-ethyl-(2-methylallyl)-propyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-ethyl-(2-methylprop-2-enyl)-propylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-ethyl-(2-methylprop-2-enyl)-propylazanium Traditional Name: (4-carboxy-2,6-dinitro-phenyl)-ethyl-(2-methylallyl)-propyl-ammonium Formula: C16H22N3O6+ MolecularWeight: 352.36238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-5-7-19(6-2,10-11(3)4)15-13(17(22)23)8-12(16(20)21)9-14(15)18(24)25/h8-9H,3,5-7,10H2,1-2,4H3/p+1