methyl 2-methyl-1,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-methyl-1,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-methyl-1,3-dioxo-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylate CAS Name: 2-methyl-1,3-dioxo-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-1,3-dioxo-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-methyl-6-(trifluoromethyl)-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C13H10F3NO4 MolecularWeight: 301.21801

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C2=C(C1=O)C=CC(=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CN1C(=O)C(C2=C(C1=O)C=CC(=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C13H10F3NO4/c1-17-10(18)7-4-3-6(13(14,15)16)5-8(7)9(11(17)19)12(20)21-2/h3-5,9H,1-2H3