1-[2-(1-adamantyl)-8-nitro-quinolin-6-yl]ethanone

Systemtic Name: 1-[2-(1-adamantyl)-8-nitro-quinolin-6-yl]ethanone Openeye Name: 1-[2-(1-adamantyl)-8-nitro-6-quinolyl]ethanone CAS Name: 1-[2-(1-adamantyl)-8-nitro-6-quinolinyl]ethanone IUPAC Name: 1-[2-(1-adamantyl)-8-nitroquinolin-6-yl]ethanone Traditional Name: 1-[2-(1-adamantyl)-8-nitro-6-quinolyl]ethanone Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2C(=C1)C=CC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C2C(=C1)C=CC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3/c1-12(24)17-7-16-2-3-19(22-20(16)18(8-17)23(25)26)21-9-13-4-14(10-21)6-15(5-13)11-21/h2-3,7-8,13-15H,4-6,9-11H2,1H3