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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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