2,2-dimethyl-6-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hex-4-yn-3-one

Systemtic Name: 2,2-dimethyl-6-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hex-4-yn-3-one Openeye Name: 2,2-dimethyl-6-[1-(3-nitro-2-pyridyl)-4-piperidylidene]hex-4-yn-3-one CAS Name: 2,2-dimethyl-6-[1-(3-nitro-2-pyridinyl)-4-piperidinylidene]-4-hexyn-3-one IUPAC Name: 2,2-dimethyl-6-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hex-4-yn-3-one Traditional Name: 2,2-dimethyl-6-[1-(3-nitro-2-pyridyl)-4-piperidylidene]hex-4-yn-3-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C#CC=C1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C#CC=C1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-18(2,3)16(22)8-4-6-14-9-12-20(13-10-14)17-15(21(23)24)7-5-11-19-17/h5-7,11H,9-10,12-13H2,1-3H3