(2S)-N-cyclooctyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: (2S)-N-cyclooctyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: (2S)-N-cyclooctyl-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: (2S)-N-cyclooctyl-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: (2S)-N-cyclooctyl-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: (2S)-N-cyclooctyl-2-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C18H24F3N3O3 MolecularWeight: 387.39667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCCC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCCC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H24F3N3O3/c1-12(17(25)23-14-7-5-3-2-4-6-8-14)22-15-10-9-13(18(19,20)21)11-16(15)24(26)27/h9-12,14,22H,2-8H2,1H3,(H,23,25)/t12-/m0/s1