1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenyl-pyrazolidin-1-yl]ethanone

Systemtic Name: 1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenyl-pyrazolidin-1-yl]ethanone Openeye Name: 1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenyl-pyrazolidin-1-yl]ethanone CAS Name: 1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenyl-1-pyrazolidinyl]ethanone IUPAC Name: 1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenylpyrazolidin-1-yl]ethanone Traditional Name: 1-[(3S,5S)-3-methyl-5-(nitromethyl)-2-phenyl-pyrazolidin-1-yl]ethanone Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(N1C2=CC=CC=C2)C(=O)C)C[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@H](N(N1C2=CC=CC=C2)C(=O)C)C[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-10-8-13(9-14(18)19)16(11(2)17)15(10)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m0/s1