1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride

Systemtic Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride Openeye Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride CAS Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride IUPAC Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride Traditional Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-diazepane hydrochloride Formula: C12H15ClF3N3O2 MolecularWeight: 325.71461

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F.Cl

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F.Cl

InChI

InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)10-8-9(2-3-11(10)18(19)20)17-6-1-4-16-5-7-17;/h2-3,8,16H,1,4-7H2;1H