azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium

Systemtic Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium Openeye Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxo-ethyl]-[3-(trifluoromethyl)phenyl]ammonium CAS Name: 2-azepanylidene-[2-(3-nitrophenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(3-nitrophenyl)ethyl]-[3-(trifluoromethyl)phenyl]ammonium Formula: C21H21F3N3O3+ MolecularWeight: 420.40495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F)NCC1

InChI

InChI=1S/C21H20F3N3O3/c22-21(23,24)16-7-5-8-17(13-16)26(20-10-2-1-3-11-25-20)14-19(28)15-6-4-9-18(12-15)27(29)30/h4-9,12-13H,1-3,10-11,14H2/p+1