ethyl 2-[4-(cyanomethyl)-6-fluoranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-(cyanomethyl)-6-fluoranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[4-(cyanomethyl)-6-fluoro-3-keto-1,4-benzoxazin-2-yl]acetic acid ethyl ester Formula: C14H13FN2O4 MolecularWeight: 292.262423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(O1)C=CC(=C2)F)CC#N

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(O1)C=CC(=C2)F)CC#N

InChI

InChI=1S/C14H13FN2O4/c1-2-20-13(18)8-12-14(19)17(6-5-16)10-7-9(15)3-4-11(10)21-12/h3-4,7,12H,2,6,8H2,1H3