8-[(3S)-5-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-yl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(3S)-5-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-yl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(3S)-5-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-yl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(3S)-5-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-3-pyrazolidinyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(3S)-5-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-yl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(3S)-5-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-yl]-4H-1,3-benzodioxin-6-carboxylate Formula: C18H14FN2O5- MolecularWeight: 357.312563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NNC1=C2C=C(C=CC2=O)F)C3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

C1[C@H](NNC1=C2C=C(C=CC2=O)F)C3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C18H15FN2O5/c19-11-1-2-16(22)12(5-11)14-6-15(21-20-14)13-4-9(18(23)24)3-10-7-25-8-26-17(10)13/h1-5,15,20-21H,6-8H2,(H,23,24)/p-1/t15-/m0/s1