N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-hexanoyl-carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-hexanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-hexanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxohexyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-hexanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-caproyl-carbamoyl]-2-nitro-benzamide Formula: C25H24BrN5O6 MolecularWeight: 570.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN5O6/c1-3-4-5-10-22(32)30(25(34)29-23(33)19-8-6-7-9-20(19)31(35)36)18-11-12-21(16(2)13-18)37-24-27-14-17(26)15-28-24/h6-9,11-15H,3-5,10H2,1-2H3,(H,29,33,34)