[(3S)-5-[(2-methylpropan-2-yl)oxy]-3-phenethyl-pyrazolidin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(3S)-5-[(2-methylpropan-2-yl)oxy]-3-phenethyl-pyrazolidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [(3S)-5-tert-butoxy-3-phenethyl-pyrazolidin-1-yl]-(4-nitrophenyl)methanone CAS Name: [(3S)-5-[(2-methylpropan-2-yl)oxy]-3-phenethyl-1-pyrazolidinyl]-(4-nitrophenyl)methanone IUPAC Name: [(3S)-5-[(2-methylpropan-2-yl)oxy]-3-phenethylpyrazolidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(3S)-5-tert-butoxy-3-phenethyl-pyrazolidin-1-yl]-(4-nitrophenyl)methanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1CC(NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC1C[C@@H](NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)29-20-15-18(12-9-16-7-5-4-6-8-16)23-24(20)21(26)17-10-13-19(14-11-17)25(27)28/h4-8,10-11,13-14,18,20,23H,9,12,15H2,1-3H3/t18-,20?/m0/s1