4-[bis(prop-2-enyl)-propyl-azaniumyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[bis(prop-2-enyl)-propyl-azaniumyl]-3,5-dinitro-benzoate Openeye Name: 4-[diallyl(propyl)ammonio]-3,5-dinitro-benzoate CAS Name: 4-[bis(prop-2-enyl)-propylammonio]-3,5-dinitrobenzoate IUPAC Name: 4-[bis(prop-2-enyl)-propylazaniumyl]-3,5-dinitrobenzoate Traditional Name: 4-[diallyl(propyl)ammonio]-3,5-dinitro-benzoate Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-4-7-19(8-5-2,9-6-3)15-13(17(22)23)10-12(16(20)21)11-14(15)18(24)25/h4-5,10-11H,1-2,6-9H2,3H3