N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]acetamide Formula: C20H19F3N4O4 MolecularWeight: 436.38447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N4O4/c1-13(28)24-16-4-2-3-14(11-16)19(29)26-9-7-25(8-10-26)17-6-5-15(20(21,22)23)12-18(17)27(30)31/h2-6,11-12H,7-10H2,1H3,(H,24,28)