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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-butanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-butanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxobutyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-butanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-butyryl-carbamoyl]-2-nitro-benzamide Formula: C23H20BrN5O6 MolecularWeight: 542.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C23H20BrN5O6/c1-3-6-20(30)28(23(32)27-21(31)17-7-4-5-8-18(17)29(33)34)16-9-10-19(14(2)11-16)35-22-25-12-15(24)13-26-22/h4-5,7-13H,3,6H2,1-2H3,(H,27,31,32)