6-bromanyl-3-methyl-1-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-3-methyl-1-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide Openeye Name: 6-bromo-3-methyl-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromane-3-carboxamide CAS Name: 6-bromo-3-methyl-1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-3-methyl-1-oxo-N-[2-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide Traditional Name: 6-bromo-1-keto-3-methyl-N-[2-(trifluoromethyl)phenyl]isochroman-3-carboxamide Formula: C18H13BrF3NO3 MolecularWeight: 428.19993

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H13BrF3NO3/c1-17(9-10-8-11(19)6-7-12(10)15(24)26-17)16(25)23-14-5-3-2-4-13(14)18(20,21)22/h2-8H,9H2,1H3,(H,23,25)