2-[6-(4-fluoranyl-3-nitro-phenyl)azanidylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[6-(4-fluoranyl-3-nitro-phenyl)azanidylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[6-(4-fluoro-3-nitro-phenyl)azanidylsulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[6-(4-fluoro-3-nitrophenyl)azanidylsulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[6-(4-fluoro-3-nitrophenyl)azanidylsulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[6-(4-fluoro-3-nitro-phenyl)azanidylsulfonyl-3-keto-1,4-benzoxazin-4-yl]acetate Formula: C16H10FN3O8S-2 MolecularWeight: 423.329303

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H11FN3O8S/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/h1-6H,7-8H2,(H,22,23)/q-1/p-1