1-[4-(2-chloranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-chloranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(2-chloro-5-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(2-chloro-5-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-chloro-5-nitro-benzoyl)piperazino]ethanone Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O4/c1-9(18)15-4-6-16(7-5-15)13(19)11-8-10(17(20)21)2-3-12(11)14/h2-3,8H,4-7H2,1H3