ethyl 2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate

Systemtic Name: ethyl 2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate Openeye Name: ethyl 2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate CAS Name: 2-[[[(4-fluoro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-nitrobenzoate Traditional Name: 2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoic acid ethyl ester Formula: C15H14FN5O8S MolecularWeight: 443.363763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)F)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)F)OC

InChI

InChI=1S/C15H14FN5O8S/c1-3-29-13(22)9-5-4-8(21(24)25)6-10(9)30(26,27)20-15(23)19-14-17-11(16)7-12(18-14)28-2/h4-7H,3H2,1-2H3,(H2,17,18,19,20,23)