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

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)carbonyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione Openeye Name: 3-(4-chloro-2-nitro-benzoyl)-6-(4-methylsulfanylphenyl)piperidine-2,4-dione CAS Name: 3-[(4-chloro-2-nitrophenyl)-oxomethyl]-6-[4-(methylthio)phenyl]piperidine-2,4-dione IUPAC Name: 3-(4-chloro-2-nitrobenzoyl)-6-(4-methylsulfanylphenyl)piperidine-2,4-dione Traditional Name: 3-(4-chloro-2-nitro-benzoyl)-6-[4-(methylthio)phenyl]piperidine-2,4-quinone Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CC(=O)C(C(=O)N2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2CC(=O)C(C(=O)N2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O5S/c1-28-12-5-2-10(3-6-12)14-9-16(23)17(19(25)21-14)18(24)13-7-4-11(20)8-15(13)22(26)27/h2-8,14,17H,9H2,1H3,(H,21,25)