6-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]carbamoyl]-4-oxidanylidene-pyran-3-olate

Systemtic Name: 6-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]carbamoyl]-4-oxidanylidene-pyran-3-olate Openeye Name: 6-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]carbamoyl]-4-oxo-pyran-3-olate CAS Name: 6-[[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]-oxomethyl]-4-oxo-3-pyranolate IUPAC Name: 6-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]carbamoyl]-4-oxopyran-3-olate Traditional Name: 6-[(2-fluorobenzyl)-piperonyl-carbamoyl]-4-keto-pyran-3-olate Formula: C21H15FNO6- MolecularWeight: 396.345303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3F)C(=O)C4=CC(=O)C(=CO4)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3F)C(=O)C4=CC(=O)C(=CO4)[O-]

InChI

InChI=1S/C21H16FNO6/c22-15-4-2-1-3-14(15)10-23(21(26)20-8-16(24)17(25)11-27-20)9-13-5-6-18-19(7-13)29-12-28-18/h1-8,11,25H,9-10,12H2/p-1