(4-carboxy-2,6-dinitro-phenyl)-diethyl-propyl-azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-propyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-propyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-diethyl-propylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-diethyl-propylazanium Traditional Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-propyl-ammonium Formula: C14H20N3O6+ MolecularWeight: 326.3251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-4-7-17(5-2,6-3)13-11(15(20)21)8-10(14(18)19)9-12(13)16(22)23/h8-9H,4-7H2,1-3H3/p+1