(2S)-3-methyl-2-(3-nitrophenoxy)-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-2-(3-nitrophenoxy)-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-2-(3-nitrophenoxy)-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-3-methyl-2-(3-nitrophenoxy)-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-3-methyl-2-(3-nitrophenoxy)-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-2-(3-nitrophenoxy)-1-piperazino-butan-1-one Formula: C15H21N3O4 MolecularWeight: 307.34494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-11(2)14(15(19)17-8-6-16-7-9-17)22-13-5-3-4-12(10-13)18(20)21/h3-5,10-11,14,16H,6-9H2,1-2H3/t14-/m0/s1