(E)-4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-methyl-amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-methylamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-methylamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-methyl-amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H11F2NO6 MolecularWeight: 315.226346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OC(O2)(F)F)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OC(O2)(F)F)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H11F2NO6/c1-16(11(18)5-8(17)12(19)20)6-7-2-3-9-10(4-7)22-13(14,15)21-9/h2-5,18H,6H2,1H3,(H,19,20)/b11-5+