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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

Isomeric SMILES

CCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

InChI

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