methyl 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylate Openeye Name: methyl 3-oxo-2-[3-(trifluoromethyl)phenyl]isoindoline-4-carboxylate CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxylate Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]isoindoline-4-carboxylic acid methyl ester Formula: C17H12F3NO3 MolecularWeight: 335.27729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NO3/c1-24-16(23)13-7-2-4-10-9-21(15(22)14(10)13)12-6-3-5-11(8-12)17(18,19)20/h2-8H,9H2,1H3