(6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane

Systemtic Name: (6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane Openeye Name: (6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane CAS Name: (6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane IUPAC Name: (6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane Traditional Name: (6S)-3,3,6-trimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azepane Formula: C16H21F3N2O2 MolecularWeight: 330.34535

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(C)C

Isomeric SMILES

C[C@H]1CCC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(C)C

InChI

InChI=1S/C16H21F3N2O2/c1-11-6-7-15(2,3)10-20(9-11)13-5-4-12(16(17,18)19)8-14(13)21(22)23/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/m0/s1