8-[[2,4-bis(fluoranyl)phenyl]methyl-methyl-carbamoyl]-4-oxidanylidene-1H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-[[2,4-bis(fluoranyl)phenyl]methyl-methyl-carbamoyl]-4-oxidanylidene-1H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[(2,4-difluorophenyl)methyl-methyl-carbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[(2,4-difluorophenyl)methyl-methylamino]-oxomethyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[(2,4-difluorophenyl)methyl-methylcarbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[(2,4-difluorobenzyl)-methyl-carbamoyl]-4-keto-1H-1,10-phenanthroline-3-carboxylic acid Formula: C22H15F2N3O4 MolecularWeight: 423.369006

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)F)F)C(=O)C2=CN=C3C(=C2)C=CC4=C3NC=C(C4=O)C(=O)O

Isomeric SMILES

CN(CC1=C(C=C(C=C1)F)F)C(=O)C2=CN=C3C(=C2)C=CC4=C3NC=C(C4=O)C(=O)O

InChI

InChI=1S/C22H15F2N3O4/c1-27(10-12-2-4-14(23)7-17(12)24)21(29)13-6-11-3-5-15-19(18(11)25-8-13)26-9-16(20(15)28)22(30)31/h2-9H,10H2,1H3,(H,26,28)(H,30,31)