diethyl 2-[[(E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanedioate Openeye Name: diethyl 2-[[(E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanedioate CAS Name: 2-[[(E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanedioate Traditional Name: 2-[[(E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]malonic acid diethyl ester Formula: C18H20FNO7 MolecularWeight: 381.352303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C=CC1=CC(=CC2=C1OCOC2)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)/C=C/C1=CC(=CC2=C1OCOC2)F

InChI

InChI=1S/C18H20FNO7/c1-3-25-17(22)15(18(23)26-4-2)20-14(21)6-5-11-7-13(19)8-12-9-24-10-27-16(11)12/h5-8,15H,3-4,9-10H2,1-2H3,(H,20,21)/b6-5+