[[6-bromanyl-2-(phenylcarbamoyl)quinolin-7-yl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[6-bromanyl-2-(phenylcarbamoyl)quinolin-7-yl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[6-bromo-2-(phenylcarbamoyl)-7-quinolyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-[anilino(oxo)methyl]-6-bromo-7-quinolinyl]-difluoromethyl]phosphonic acid IUPAC Name: [[6-bromo-2-(phenylcarbamoyl)quinolin-7-yl]-difluoromethyl]phosphonic acid Traditional Name: [[6-bromo-2-(phenylcarbamoyl)-7-quinolyl]-difluoro-methyl]phosphonic acid Formula: C17H12BrF2N2O4P MolecularWeight: 457.162747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=NC3=CC(=C(C=C3C=C2)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=NC3=CC(=C(C=C3C=C2)Br)C(F)(F)P(=O)(O)O

InChI

InChI=1S/C17H12BrF2N2O4P/c18-13-8-10-6-7-14(16(23)21-11-4-2-1-3-5-11)22-15(10)9-12(13)17(19,20)27(24,25)26/h1-9H,(H,21,23)(H2,24,25,26)