2-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-methyl-isoindole-1,3-dione

Systemtic Name: 2-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-methyl-isoindole-1,3-dione Openeye Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-methyl-isoindoline-1,3-dione CAS Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-methylisoindole-1,3-dione IUPAC Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-methylisoindole-1,3-dione Traditional Name: 2-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)-4-methyl-isoindoline-1,3-quinone Formula: C20H13FN2O4 MolecularWeight: 364.326623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)C3=C(C=C4C(=C3)N(C(=O)CO4)CC#C)F

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)C3=C(C=C4C(=C3)N(C(=O)CO4)CC#C)F

InChI

InChI=1S/C20H13FN2O4/c1-3-7-22-15-9-14(13(21)8-16(15)27-10-17(22)24)23-19(25)12-6-4-5-11(2)18(12)20(23)26/h1,4-6,8-9H,7,10H2,2H3