4-[bis(prop-2-enyl)-propyl-azaniumyl]-4,5-dinitro-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 4-[bis(prop-2-enyl)-propyl-azaniumyl]-4,5-dinitro-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 4-[diallyl(propyl)ammonio]-4,5-dinitro-cyclohexa-1,5-diene-1-carboxylate CAS Name: 4-[bis(prop-2-enyl)-propylammonio]-4,5-dinitro-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: 4-[bis(prop-2-enyl)-propylazaniumyl]-4,5-dinitrocyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-[diallyl(propyl)ammonio]-4,5-dinitro-cyclohexa-1,5-diene-1-carboxylate Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-4-9-19(10-5-2,11-6-3)16(18(24)25)8-7-13(15(20)21)12-14(16)17(22)23/h4-5,7,12H,1-2,6,8-11H2,3H3