(2S)-2-(3-nitrophenoxy)-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(3-nitrophenoxy)-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(3-nitrophenoxy)-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-(3-nitrophenoxy)-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(3-nitrophenoxy)-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-(3-nitrophenoxy)-1-piperazino-propan-1-one Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-10(13(17)15-7-5-14-6-8-15)20-12-4-2-3-11(9-12)16(18)19/h2-4,9-10,14H,5-8H2,1H3/t10-/m0/s1