2-[(4-bromophenyl)methyl-[4-(trifluoromethyl)phenyl]amino]oxy-2-oxidanylidene-ethanoate; pyrimidine

Systemtic Name: 2-[(4-bromophenyl)methyl-[4-(trifluoromethyl)phenyl]amino]oxy-2-oxidanylidene-ethanoate; pyrimidine Openeye Name: 2-[N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)anilino]oxy-2-oxo-acetate; pyrimidine CAS Name: 2-[N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)anilino]oxy-2-oxoacetate; pyrimidine IUPAC Name: 2-[N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)anilino]oxy-2-oxoacetate; pyrimidine Traditional Name: 2-[N-(4-bromobenzyl)-4-(trifluoromethyl)anilino]oxy-2-keto-acetate; pyrimidine Formula: C20H14BrF3N3O4- MolecularWeight: 497.24207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1.C1=CC(=CC=C1CN(C2=CC=C(C=C2)C(F)(F)F)OC(=O)C(=O)[O-])Br

Isomeric SMILES

C1=CN=CN=C1.C1=CC(=CC=C1CN(C2=CC=C(C=C2)C(F)(F)F)OC(=O)C(=O)[O-])Br

InChI

InChI=1S/C16H11BrF3NO4.C4H4N2/c17-12-5-1-10(2-6-12)9-21(25-15(24)14(22)23)13-7-3-11(4-8-13)16(18,19)20;1-2-5-4-6-3-1/h1-8H,9H2,(H,22,23);1-4H/p-1