[2-[[2-(1,3-benzodioxol-5-ylcarbonylamino)-5-fluoranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylcarbonylamino)-5-fluoranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-(1,3-benzodioxole-5-carbonylamino)-5-fluoro-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-fluoroanilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-(1,3-benzodioxole-5-carbonylamino)-5-fluoroanilino]-2-oxoethyl]azanium Traditional Name: [2-[5-fluoro-2-(piperonyloylamino)anilino]-2-keto-ethyl]ammonium Formula: C16H15FN3O4+ MolecularWeight: 332.306403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)NC(=O)C[NH3+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)NC(=O)C[NH3+]

InChI

InChI=1S/C16H14FN3O4/c17-10-2-3-11(12(6-10)19-15(21)7-18)20-16(22)9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8,18H2,(H,19,21)(H,20,22)/p+1