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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(4-methyl-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(4-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(4-methyl-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C16H12F3N3O5 MolecularWeight: 383.27879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O5/c1-9-6-7-10(8-11(9)22(24)25)20-14(23)21-16(15(17,18)19)26-12-4-2-3-5-13(12)27-16/h2-8H,1H3,(H2,20,21,23)