(3S)-N-[3-chloranyl-4-(trifluoromethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-[3-chloranyl-4-(trifluoromethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-1-keto-isochroman-3-carboxamide Formula: C17H11ClF3NO3 MolecularWeight: 369.72235

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3NO3/c18-13-8-10(5-6-12(13)17(19,20)21)22-15(23)14-7-9-3-1-2-4-11(9)16(24)25-14/h1-6,8,14H,7H2,(H,22,23)/t14-/m0/s1