methyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate

Systemtic Name: methyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate Openeye Name: methyl 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate CAS Name: 2-[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-nitrobenzoate Traditional Name: 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoic acid methyl ester Formula: C14H12ClN5O8S MolecularWeight: 445.79178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC)Cl

InChI

InChI=1S/C14H12ClN5O8S/c1-27-11-6-10(15)16-13(17-11)18-14(22)19-29(25,26)9-5-7(20(23)24)3-4-8(9)12(21)28-2/h3-6H,1-2H3,(H2,16,17,18,19,22)