3-[(4-chloranyl-2-nitro-phenyl)methyl]-1,4-dimethyl-6-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)methyl]-1,4-dimethyl-6-(phenylmethyl)piperazine-2,5-dione Openeye Name: 3-benzyl-6-[(4-chloro-2-nitro-phenyl)methyl]-1,4-dimethyl-piperazine-2,5-dione CAS Name: 3-[(4-chloro-2-nitrophenyl)methyl]-1,4-dimethyl-6-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 3-benzyl-6-[(4-chloro-2-nitrophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione Traditional Name: 3-benzyl-6-(4-chloro-2-nitro-benzyl)-1,4-dimethyl-piperazine-2,5-quinone Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(C(C1=O)CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(C(=O)N(C(C1=O)CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O4/c1-22-17(10-13-6-4-3-5-7-13)19(25)23(2)18(20(22)26)11-14-8-9-15(21)12-16(14)24(27)28/h3-9,12,17-18H,10-11H2,1-2H3