2-[[5-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenyl]amino]propan-1-ol

Systemtic Name: 2-[[5-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenyl]amino]propan-1-ol Openeye Name: 2-[5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-anilino]propan-1-ol CAS Name: 2-[5-[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-2-nitroanilino]-1-propanol IUPAC Name: 2-[5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitroanilino]propan-1-ol Traditional Name: 2-[5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-anilino]propan-1-ol Formula: C14H14BrF3N4O4 MolecularWeight: 439.18457

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=C(C=CC(=C1)OC2=NN(C(=C2Br)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC(CO)NC1=C(C=CC(=C1)OC2=NN(C(=C2Br)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrF3N4O4/c1-7(6-23)19-9-5-8(3-4-10(9)22(24)25)26-13-11(15)12(14(16,17)18)21(2)20-13/h3-5,7,19,23H,6H2,1-2H3