1-[3-nitro-4-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazino]phenyl]ethanone Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-12(21)13-4-5-14(15(11-13)20(23)24)18-6-8-19(9-7-18)17(22)16-3-2-10-25-16/h4-5,11,16H,2-3,6-10H2,1H3/t16-/m1/s1