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

Systemtic Name: 2-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)-4-nitro-isoindoline-1,3-quinone Formula: C19H10FN3O6 MolecularWeight: 395.297603

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C19H10FN3O6/c1-2-6-21-14-8-13(11(20)7-15(14)29-9-16(21)24)22-18(25)10-4-3-5-12(23(27)28)17(10)19(22)26/h1,3-5,7-8H,6,9H2