tert-butyl 4-[4-oxidanylidene-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-oxidanylidene-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-oxo-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-oxo-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-oxo-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-6-(trifluoromethyl)-3,1-benzoxazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)C(F)(F)F)C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)C(F)(F)F)C(=O)O2

InChI

InChI=1S/C18H20F3N3O4/c1-17(2,3)28-16(26)24-8-6-23(7-9-24)15-22-13-5-4-11(18(19,20)21)10-12(13)14(25)27-15/h4-5,10H,6-9H2,1-3H3