2-[7-fluoranyl-4-(3-iodanylprop-2-ynyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[7-fluoranyl-4-(3-iodanylprop-2-ynyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]isoindole-1,3-dione Openeye Name: 2-[7-fluoro-4-(3-iodoprop-2-ynyl)-3-oxo-1,4-benzoxazin-6-yl]isoindoline-1,3-dione CAS Name: 2-[7-fluoro-4-(3-iodoprop-2-ynyl)-3-oxo-1,4-benzoxazin-6-yl]isoindole-1,3-dione IUPAC Name: 2-[7-fluoro-4-(3-iodoprop-2-ynyl)-3-oxo-1,4-benzoxazin-6-yl]isoindole-1,3-dione Traditional Name: 2-[7-fluoro-4-(3-iodoprop-2-ynyl)-3-keto-1,4-benzoxazin-6-yl]isoindoline-1,3-quinone Formula: C19H10FIN2O4 MolecularWeight: 476.196573

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC(=C(C=C2O1)F)N3C(=O)C4=CC=CC=C4C3=O)CC#CI

Isomeric SMILES

C1C(=O)N(C2=CC(=C(C=C2O1)F)N3C(=O)C4=CC=CC=C4C3=O)CC#CI

InChI

InChI=1S/C19H10FIN2O4/c20-13-8-16-15(22(7-3-6-21)17(24)10-27-16)9-14(13)23-18(25)11-4-1-2-5-12(11)19(23)26/h1-2,4-5,8-9H,7,10H2