4-[bis(phenylmethyl)-propyl-azaniumyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[bis(phenylmethyl)-propyl-azaniumyl]-3,5-dinitro-benzoate Openeye Name: 4-[dibenzyl(propyl)ammonio]-3,5-dinitro-benzoate CAS Name: 4-[bis(phenylmethyl)-propylammonio]-3,5-dinitrobenzoate IUPAC Name: 4-[dibenzyl(propyl)azaniumyl]-3,5-dinitrobenzoate Traditional Name: 4-[dibenzyl(propyl)ammonio]-3,5-dinitro-benzoate Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6/c1-2-13-27(16-18-9-5-3-6-10-18,17-19-11-7-4-8-12-19)23-21(25(30)31)14-20(24(28)29)15-22(23)26(32)33/h3-12,14-15H,2,13,16-17H2,1H3