3-methyl-4-(3-methylbutanoyl)-1-(4-nitrophenyl)piperazin-2-one

Systemtic Name: 3-methyl-4-(3-methylbutanoyl)-1-(4-nitrophenyl)piperazin-2-one Openeye Name: 3-methyl-4-(3-methylbutanoyl)-1-(4-nitrophenyl)piperazin-2-one CAS Name: 3-methyl-4-(3-methyl-1-oxobutyl)-1-(4-nitrophenyl)-2-piperazinone IUPAC Name: 3-methyl-4-(3-methylbutanoyl)-1-(4-nitrophenyl)piperazin-2-one Traditional Name: 4-isovaleryl-3-methyl-1-(4-nitrophenyl)piperazin-2-one Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)CC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1C(=O)N(CCN1C(=O)CC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-11(2)10-15(20)17-8-9-18(16(21)12(17)3)13-4-6-14(7-5-13)19(22)23/h4-7,11-12H,8-10H2,1-3H3