2-[2-chloroethyloxymethyl-(2-methyl-4-nitro-phenyl)amino]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-[2-chloroethyloxymethyl-(2-methyl-4-nitro-phenyl)amino]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[N-(2-chloroethoxymethyl)-2-methyl-4-nitro-anilino]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[N-(2-chloroethoxymethyl)-2-methyl-4-nitroanilino]-3-phenyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[N-(2-chloroethoxymethyl)-2-methyl-4-nitroanilino]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[N-(2-chloroethoxymethyl)-2-methyl-4-nitro-anilino]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C21H18ClF3N4O4 MolecularWeight: 482.84023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N(COCCCl)C2=NC(=CC(=O)N2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N(COCCCl)C2=NC(=CC(=O)N2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N4O4/c1-14-11-16(29(31)32)7-8-17(14)27(13-33-10-9-22)20-26-18(21(23,24)25)12-19(30)28(20)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3