propan-2-yl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitro-benzenecarboximidate

Systemtic Name: propan-2-yl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: isopropyl (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitro-benzenecarboximidate CAS Name: (1E)-N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-(trifluoromethyl)anilino]-oxomethyl]-2-nitrobenzenecarboximidic acid propan-2-yl ester IUPAC Name: propan-2-yl (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzenecarboximidate Traditional Name: (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitro-benzenecarboximidic acid isopropyl ester Formula: C22H17BrF3N5O5 MolecularWeight: 568.30009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NC(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C(F)(F)F)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)O/C(=N/C(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C(F)(F)F)/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H17BrF3N5O5/c1-12(2)35-19(15-5-3-4-6-17(15)31(33)34)30-20(32)29-14-7-8-18(16(9-14)22(24,25)26)36-21-27-10-13(23)11-28-21/h3-12H,1-2H3,(H,29,32)/b30-19+