(2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2Z)-1-(1-adamantyl)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C34CC5CC(C3)CC(C5)C4)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C\C(=O)C34CC5CC(C3)CC(C5)C4)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O3/c1-14-4-18-13-23(2,3)25-20(19(18)8-21(14)26(28)29)9-22(27)24-10-15-5-16(11-24)7-17(6-15)12-24/h4,8-9,15-17,25H,5-7,10-13H2,1-3H3/b20-9-