(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C17H12ClFN2O6 MolecularWeight: 394.738383

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H12ClFN2O6/c18-12-2-1-3-13(19)11(12)8-27-17(23)7-20-14-6-10(21(24)25)4-5-15(14)26-9-16(20)22/h1-6H,7-9H2