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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1,3-bis(oxidanylidene)-6-(trifluoromethyl)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-methyl-1,3-dioxo-6-(trifluoromethyl)isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-methyl-1,3-dioxo-6-(trifluoromethyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-methyl-1,3-dioxo-6-(trifluoromethyl)isoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-methyl-6-(trifluoromethyl)isoquinoline-4-carboxylic acid methyl ester Formula: C15H13F3N2O5 MolecularWeight: 358.26933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2O5/c1-20-11(22)8-4-3-7(15(16,17)18)5-9(8)14(12(20)23,6-10(19)21)13(24)25-2/h3-5H,6H2,1-2H3,(H2,19,21)