2-methylpropyl N-azanyl-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamate

Systemtic Name: 2-methylpropyl N-azanyl-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamate Openeye Name: isobutyl N-amino-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamate CAS Name: N-amino-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-amino-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamate Traditional Name: N-amino-N-[7-nitro-5-(trifluoromethyl)-1H-indazol-3-yl]carbamic acid isobutyl ester Formula: C13H14F3N5O4 MolecularWeight: 361.27657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N(C1=NNC2=C(C=C(C=C21)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

CC(C)COC(=O)N(C1=NNC2=C(C=C(C=C21)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C13H14F3N5O4/c1-6(2)5-25-12(22)20(17)11-8-3-7(13(14,15)16)4-9(21(23)24)10(8)18-19-11/h3-4,6H,5,17H2,1-2H3,(H,18,19)