2,2,2-tris(chloranyl)ethyl 7,9-dimethyl-6-oxidanylidene-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinoline-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 7,9-dimethyl-6-oxidanylidene-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinoline-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 7,9-dimethyl-6-oxo-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinoline-2-carboxylate CAS Name: 7,9-dimethyl-6-oxo-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 7,9-dimethyl-6-oxo-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinoline-2-carboxylate Traditional Name: 6-keto-7,9-dimethyl-1,3,4,4a,5,10b-hexahydrobenz[h]isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C18H20Cl3NO3 MolecularWeight: 404.7153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)CC3CCN(CC3C2=C1)C(=O)OCC(Cl)(Cl)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=O)CC3CCN(CC3C2=C1)C(=O)OCC(Cl)(Cl)Cl)C

InChI

InChI=1S/C18H20Cl3NO3/c1-10-5-11(2)16-13(6-10)14-8-22(4-3-12(14)7-15(16)23)17(24)25-9-18(19,20)21/h5-6,12,14H,3-4,7-9H2,1-2H3