tert-butyl N-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate CAS Name: N-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate Traditional Name: N-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamic acid tert-butyl ester Formula: C20H27F3N6O5 MolecularWeight: 488.46079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNC(=O)C(F)(F)F)CCCN=C1N=[N+](C2=CC=CC=C2N1O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNC(=O)C(F)(F)F)CCCN=C1N=[N+](C2=CC=CC=C2N1O)[O-]

InChI

InChI=1S/C20H27F3N6O5/c1-19(2,3)34-18(31)27(12-6-10-24-16(30)20(21,22)23)13-7-11-25-17-26-29(33)15-9-5-4-8-14(15)28(17)32/h4-5,8-9,32H,6-7,10-13H2,1-3H3,(H,24,30)