1-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-29-18-14-17(21-16-9-5-4-8-15(16)18)20(26)23-12-7-11-22(23)19(25)10-3-2-6-13-24(27)28/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3