2-(7-fluoranyl-5-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(7-fluoranyl-5-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-(7-fluoro-5-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-(7-fluoro-5-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(7-fluoro-5-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-(7-fluoro-3-keto-5-nitro-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C16H12FN3O6 MolecularWeight: 361.281383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2=O)C3=C(C=C4C(=C3[N+](=O)[O-])NC(=O)CO4)F

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=C(C=C4C(=C3[N+](=O)[O-])NC(=O)CO4)F

InChI

InChI=1S/C16H12FN3O6/c17-9-5-10-12(18-11(21)6-26-10)14(20(24)25)13(9)19-15(22)7-3-1-2-4-8(7)16(19)23/h5H,1-4,6H2,(H,18,21)