tert-butyl N-[5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamate Openeye Name: tert-butyl N-[5-(isobutylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamate CAS Name: N-[5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[5-(isobutylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester Formula: C16H22F3N3O4 MolecularWeight: 377.35879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CNC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22F3N3O4/c1-9(2)8-20-11-7-12(21-14(23)26-15(3,4)5)13(22(24)25)6-10(11)16(17,18)19/h6-7,9,20H,8H2,1-5H3,(H,21,23)