1-(2-methoxy-4-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O6/c1-26-13-8-9(22(24)25)6-7-10(13)20-14(23)21-16(15(17,18)19)27-11-4-2-3-5-12(11)28-16/h2-8H,1H3,(H2,20,21,23)