(2E)-1-(1-adamantyl)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-(1-adamantyl)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C23H27ClN2O3/c1-22(2)12-16-6-18(24)20(26(28)29)7-17(16)19(25-22)8-21(27)23-9-13-3-14(10-23)5-15(4-13)11-23/h6-8,13-15,25H,3-5,9-12H2,1-2H3/b19-8+