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3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-(dimethylcarbamoyl)benzoic acid

3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-(dimethylcarbamoyl)benzoic acid

Systemtic Name:3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-(dimethylcarbamoyl)benzoic acid
Openeye Name:3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-(dimethylcarbamoyl)benzoic acid
CAS Name:3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-[dimethylamino(oxo)methyl]benzoic acid
IUPAC Name:3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-(dimethylcarbamoyl)benzoic acid
Traditional Name:3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-(dimethylcarbamoyl)benzoic acid
Formula: C15H13ClN4O6S
MolecularWeight: 412.80492
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CN(C)C(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C15H13ClN4O6S/c1-19(2)13(21)7-4-8(14(22)23)6-9(5-7)26-12-10(20(24)25)11(16)17-15(18-12)27-3/h4-6H,1-3H3,(H,22,23)


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