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

Systemtic Name: 2-[4-(3-bromanylprop-2-ynyl)-7-fluoranyl-3-oxidanylidene-1,4-benzoxazin-6-yl]isoindole-1,3-dione Openeye Name: 2-[4-(3-bromoprop-2-ynyl)-7-fluoro-3-oxo-1,4-benzoxazin-6-yl]isoindoline-1,3-dione CAS Name: 2-[4-(3-bromoprop-2-ynyl)-7-fluoro-3-oxo-1,4-benzoxazin-6-yl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-bromoprop-2-ynyl)-7-fluoro-3-oxo-1,4-benzoxazin-6-yl]isoindole-1,3-dione Traditional Name: 2-[4-(3-bromoprop-2-ynyl)-7-fluoro-3-keto-1,4-benzoxazin-6-yl]isoindoline-1,3-quinone Formula: C19H10BrFN2O4 MolecularWeight: 429.196103

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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#CBr

Isomeric SMILES

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

InChI

InChI=1S/C19H10BrFN2O4/c20-6-3-7-22-15-9-14(13(21)8-16(15)27-10-17(22)24)23-18(25)11-4-1-2-5-12(11)19(23)26/h1-2,4-5,8-9H,7,10H2