N-[2-ethyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[2-ethyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-ethyl-3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C26H22F3N3O5 MolecularWeight: 513.46519

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H22F3N3O5/c1-2-22-25(34)31(14-16-4-3-5-19(12-16)26(27,28)29)15-18-13-20(8-11-23(18)37-22)30-24(33)17-6-9-21(10-7-17)32(35)36/h3-13,22H,2,14-15H2,1H3,(H,30,33)