4-(7-bromanyl-1,3-benzodioxol-4-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(trifluoromethyl)pentanamide

Systemtic Name: 4-(7-bromanyl-1,3-benzodioxol-4-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(trifluoromethyl)pentanamide Openeye Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide CAS Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide IUPAC Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide Traditional Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-4-methyl-2-(trifluoromethyl)valeramide Formula: C23H20BrF3N2O6 MolecularWeight: 557.31391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=C4C(=C(C=C3)Br)OCO4)(C(F)(F)F)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=C4C(=C(C=C3)Br)OCO4)(C(F)(F)F)O

InChI

InChI=1S/C23H20BrF3N2O6/c1-11-14-8-12(4-5-13(14)19(30)35-29-11)28-20(31)22(32,23(25,26)27)9-21(2,3)15-6-7-16(24)18-17(15)33-10-34-18/h4-8,32H,9-10H2,1-3H3,(H,28,31)