2-(7-fluoranyl-2-methyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-(7-fluoranyl-2-methyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-5-methyl-isoindole-1,3-dione Openeye Name: 2-(7-fluoro-2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-5-methyl-isoindoline-1,3-dione CAS Name: 2-(7-fluoro-2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-5-methylisoindole-1,3-dione IUPAC Name: 2-(7-fluoro-2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-5-methylisoindole-1,3-dione Traditional Name: 2-(7-fluoro-3-keto-2-methyl-4-propargyl-1,4-benzoxazin-6-yl)-5-methyl-isoindoline-1,3-quinone Formula: C21H15FN2O4 MolecularWeight: 378.353203

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=C(C=C2O1)F)N3C(=O)C4=C(C3=O)C=C(C=C4)C)CC#C

Isomeric SMILES

CC1C(=O)N(C2=CC(=C(C=C2O1)F)N3C(=O)C4=C(C3=O)C=C(C=C4)C)CC#C

InChI

InChI=1S/C21H15FN2O4/c1-4-7-23-17-10-16(15(22)9-18(17)28-12(3)19(23)25)24-20(26)13-6-5-11(2)8-14(13)21(24)27/h1,5-6,8-10,12H,7H2,2-3H3