2-[6-[(4-fluoranyl-3-nitro-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-fluoranyl-3-nitro-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(4-fluoro-3-nitro-phenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(4-fluoro-3-nitrophenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(4-fluoro-3-nitrophenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(4-fluoro-3-nitro-phenyl)sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C16H12FN3O8S MolecularWeight: 425.345183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H12FN3O8S/c17-11-3-1-9(5-12(11)20(24)25)18-29(26,27)10-2-4-14-13(6-10)19(7-16(22)23)15(21)8-28-14/h1-6,18H,7-8H2,(H,22,23)