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

Systemtic Name: (2E)-1-(1-adamantyl)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-adamantyl)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-22(2)13-17-3-4-18(25(27)28)8-19(17)20(24-22)9-21(26)23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,8-9,14-16,24H,5-7,10-13H2,1-2H3/b20-9+