1-[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone

Systemtic Name: 1-[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[(2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazino]ethanone Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3/c1-9-8-15(5-6-16(9)10(2)18)13-4-3-11(17(19)20)7-12(13)14/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1