3-(4-chloranyl-2-nitro-phenyl)carbonyl-1-methyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)carbonyl-1-methyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione Openeye Name: 3-(4-chloro-2-nitro-benzoyl)-1-methyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione CAS Name: 3-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-methyl-6-[4-(methylthio)phenyl]piperidine-2,4-dione IUPAC Name: 3-(4-chloro-2-nitrobenzoyl)-1-methyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione Traditional Name: 3-(4-chloro-2-nitro-benzoyl)-1-methyl-6-[4-(methylthio)phenyl]piperidine-2,4-quinone Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5S/c1-22-15(11-3-6-13(29-2)7-4-11)10-17(24)18(20(22)26)19(25)14-8-5-12(21)9-16(14)23(27)28/h3-9,15,18H,10H2,1-2H3