4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-2-one

Systemtic Name: 4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-2-one Openeye Name: 4-(2-methyl-3-nitro-benzoyl)piperazin-2-one CAS Name: 4-[(2-methyl-3-nitrophenyl)-oxomethyl]-2-piperazinone IUPAC Name: 4-(2-methyl-3-nitrobenzoyl)piperazin-2-one Traditional Name: 4-(2-methyl-3-nitro-benzoyl)piperazin-2-one Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C12H13N3O4/c1-8-9(3-2-4-10(8)15(18)19)12(17)14-6-5-13-11(16)7-14/h2-4H,5-7H2,1H3,(H,13,16)