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

Systemtic Name: [(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]-(p-tolyl)methanone CAS Name: [(2S)-4-(2,4-dinitrophenyl)-2-methyl-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [(2S)-4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazino]-(p-tolyl)methanone Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-13-3-5-15(6-4-13)19(24)21-10-9-20(12-14(21)2)17-8-7-16(22(25)26)11-18(17)23(27)28/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1