(2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-(3,3,4,4-tetramethyl-6-nitro-2H-isoquinolin-1-ylidene)ethanone Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])C(=CC(=O)C34CC5CC(C3)CC(C5)C4)NC1(C)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/NC1(C)C)C

InChI

InChI=1S/C25H32N2O3/c1-23(2)20-10-18(27(29)30)5-6-19(20)21(26-24(23,3)4)11-22(28)25-12-15-7-16(13-25)9-17(8-15)14-25/h5-6,10-11,15-17,26H,7-9,12-14H2,1-4H3/b21-11+