methyl 3-[(4-fluoranyl-3-nitro-phenyl)sulfamoyl]benzoate; 1-methylimidazole

Systemtic Name: methyl 3-[(4-fluoranyl-3-nitro-phenyl)sulfamoyl]benzoate; 1-methylimidazole Openeye Name: methyl 3-[(4-fluoro-3-nitro-phenyl)sulfamoyl]benzoate; 1-methylimidazole CAS Name: 3-[(4-fluoro-3-nitrophenyl)sulfamoyl]benzoic acid methyl ester; 1-methylimidazole IUPAC Name: methyl 3-[(4-fluoro-3-nitrophenyl)sulfamoyl]benzoate; 1-methylimidazole Traditional Name: 3-[(4-fluoro-3-nitro-phenyl)sulfamoyl]benzoic acid methyl ester; 1-methylimidazole Formula: C18H17FN4O6S MolecularWeight: 436.414183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1.COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1.COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11FN2O6S.C4H6N2/c1-23-14(18)9-3-2-4-11(7-9)24(21,22)16-10-5-6-12(15)13(8-10)17(19)20;1-6-3-2-5-4-6/h2-8,16H,1H3;2-4H,1H3