4-[[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C18H13F2NO5 MolecularWeight: 361.296326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC4=C(C=C3)OC(O4)(F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC4=C(C=C3)OC(O4)(F)F)O

InChI

InChI=1S/C18H13F2NO5/c1-9-13(22)4-3-12-10(6-16(23)24-17(9)12)8-21-11-2-5-14-15(7-11)26-18(19,20)25-14/h2-7,21-22H,8H2,1H3