[5-(dimethylamino)-2-naphthalen-1-yl-pentyl] 3,5-dinitrobenzoate hydrochloride

Systemtic Name: [5-(dimethylamino)-2-naphthalen-1-yl-pentyl] 3,5-dinitrobenzoate hydrochloride Openeye Name: [5-(dimethylamino)-2-(1-naphthyl)pentyl] 3,5-dinitrobenzoate hydrochloride CAS Name: 3,5-dinitrobenzoic acid [5-(dimethylamino)-2-(1-naphthalenyl)pentyl] ester hydrochloride IUPAC Name: [5-(dimethylamino)-2-naphthalen-1-ylpentyl] 3,5-dinitrobenzoate hydrochloride Traditional Name: 3,5-dinitrobenzoic acid [5-(dimethylamino)-2-(1-naphthyl)pentyl] ester hydrochloride Formula: C24H26ClN3O6 MolecularWeight: 487.93274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC3=CC=CC=C32.Cl

Isomeric SMILES

CN(C)CCCC(COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC3=CC=CC=C32.Cl

InChI

InChI=1S/C24H25N3O6.ClH/c1-25(2)12-6-9-18(23-11-5-8-17-7-3-4-10-22(17)23)16-33-24(28)19-13-20(26(29)30)15-21(14-19)27(31)32;/h3-5,7-8,10-11,13-15,18H,6,9,12,16H2,1-2H3;1H