1-[2-(2,4,6-trinitrophenyl)ethyl]azepane hydrochloride

Systemtic Name: 1-[2-(2,4,6-trinitrophenyl)ethyl]azepane hydrochloride Openeye Name: 1-[2-(2,4,6-trinitrophenyl)ethyl]azepane hydrochloride CAS Name: 1-[2-(2,4,6-trinitrophenyl)ethyl]azepane hydrochloride IUPAC Name: 1-[2-(2,4,6-trinitrophenyl)ethyl]azepane hydrochloride Traditional Name: 1-(2-picrylethyl)azepane hydrochloride Formula: C14H19ClN4O6 MolecularWeight: 374.77686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C14H18N4O6.ClH/c19-16(20)11-9-13(17(21)22)12(14(10-11)18(23)24)5-8-15-6-3-1-2-4-7-15;/h9-10H,1-8H2;1H