1-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]ethanone

Systemtic Name: 1-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2S)-4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazino]ethanone Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5/c1-9-8-14(5-6-15(9)10(2)18)12-4-3-11(16(19)20)7-13(12)17(21)22/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1