3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-N-(2,2,2-trifluoroethyl)benzamide Formula: C22H21F3N4O5 MolecularWeight: 478.42115

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H21F3N4O5/c23-22(24,25)13-26-20(30)14-5-6-18(19(11-14)29(32)33)27-9-7-16(8-10-27)28-17-4-2-1-3-15(17)12-34-21(28)31/h1-6,11,16H,7-10,12-13H2,(H,26,30)