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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-pentanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-pentanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxopentyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-pentanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-valeryl-carbamoyl]-2-nitro-benzamide Formula: C24H22BrN5O6 MolecularWeight: 556.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C24H22BrN5O6/c1-3-4-9-21(31)29(24(33)28-22(32)18-7-5-6-8-19(18)30(34)35)17-10-11-20(15(2)12-17)36-23-26-13-16(25)14-27-23/h5-8,10-14H,3-4,9H2,1-2H3,(H,28,32,33)