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1-oxidanylidene-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate

1-oxidanylidene-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate

Systemtic Name:1-oxidanylidene-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
Openeye Name:1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
CAS Name:1-oxo-2-[3-(trifluoromethyl)phenyl]-4-isoquinolinecarboxylate
IUPAC Name:1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
Traditional Name:1-keto-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
Formula: C17H9F3NO3-
MolecularWeight: 332.25347
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)[O-]


InChI

InChI=1S/C17H10F3NO3/c18-17(19,20)10-4-3-5-11(8-10)21-9-14(16(23)24)12-6-1-2-7-13(12)15(21)22/h1-9H,(H,23,24)/p-1


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