1-[[3-azanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]methylamino]propan-2-ol

Systemtic Name: 1-[[3-azanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]methylamino]propan-2-ol Openeye Name: 1-[[3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]methylamino]propan-2-ol CAS Name: 1-[[3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]methylamino]-2-propanol IUPAC Name: 1-[[3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]methylamino]propan-2-ol Traditional Name: 1-[[3-amino-2,6-dinitro-4-(trifluoromethyl)benzyl]amino]propan-2-ol Formula: C11H13F3N4O5 MolecularWeight: 338.23993

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CNCC1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C11H13F3N4O5/c1-5(19)3-16-4-6-8(17(20)21)2-7(11(12,13)14)9(15)10(6)18(22)23/h2,5,16,19H,3-4,15H2,1H3