4-[2,4-bis(oxidanylidene)-3,1-benzoxazin-1-yl]but-2-ynyl ethanoate

Systemtic Name: 4-[2,4-bis(oxidanylidene)-3,1-benzoxazin-1-yl]but-2-ynyl ethanoate Openeye Name: 4-(2,4-dioxo-3,1-benzoxazin-1-yl)but-2-ynyl acetate CAS Name: acetic acid 4-(2,4-dioxo-3,1-benzoxazin-1-yl)but-2-ynyl ester IUPAC Name: 4-(2,4-dioxo-3,1-benzoxazin-1-yl)but-2-ynyl acetate Traditional Name: acetic acid 4-(2,4-diketo-3,1-benzoxazin-1-yl)but-2-ynyl ester Formula: C14H11NO5 MolecularWeight: 273.24084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCN1C2=CC=CC=C2C(=O)OC1=O

Isomeric SMILES

CC(=O)OCC#CCN1C2=CC=CC=C2C(=O)OC1=O

InChI

InChI=1S/C14H11NO5/c1-10(16)19-9-5-4-8-15-12-7-3-2-6-11(12)13(17)20-14(15)18/h2-3,6-7H,8-9H2,1H3