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

Systemtic Name: (2S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-phenethyl-propanamide Openeye Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenethyl-propanamide CAS Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenethylpropanamide IUPAC Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenethylpropanamide Traditional Name: (2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenethyl-propionamide Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O3/c1-12(17(25)22-10-9-13-5-3-2-4-6-13)23-15-8-7-14(18(19,20)21)11-16(15)24(26)27/h2-8,11-12,23H,9-10H2,1H3,(H,22,25)/t12-/m0/s1