N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C19H18FN3O5S MolecularWeight: 419.426723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O5S/c20-13-2-5-15(6-3-13)29-9-1-8-21-18(24)11-22-16-10-14(23(26)27)4-7-17(16)28-12-19(22)25/h2-7,10H,1,8-9,11-12H2,(H,21,24)