[[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] 4-bromanylbenzoate

Systemtic Name: [[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] 4-bromanylbenzoate Openeye Name: [[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] ester IUPAC Name: [[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [[6-phenyl-3-(trifluoromethyl)-1,2,4-triazin-5-yl]amino] ester Formula: C17H10BrF3N4O2 MolecularWeight: 439.18611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)C(F)(F)F)NOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)C(F)(F)F)NOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H10BrF3N4O2/c18-12-8-6-11(7-9-12)15(26)27-25-14-13(10-4-2-1-3-5-10)23-24-16(22-14)17(19,20)21/h1-9H,(H,22,24,25)