[5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [5-(isobutylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid CAS Name: [5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [5-(2-methylpropylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [5-(isobutylamino)-2-nitro-4-(trifluoromethyl)phenyl]carbamic acid Formula: C12H14F3N3O4 MolecularWeight: 321.25247

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3O4/c1-6(2)5-16-8-4-9(17-11(19)20)10(18(21)22)3-7(8)12(13,14)15/h3-4,6,16-17H,5H2,1-2H3,(H,19,20)