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

Systemtic Name: [(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-phenyl-methanone CAS Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-piperazinyl]-phenylmethanone IUPAC Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]-phenylmethanone Traditional Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazino]-phenyl-methanone Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3/c1-13-12-20(17-8-7-15(22(24)25)11-16(17)19)9-10-21(13)18(23)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1