2-(5-chloranyl-2-oxidanyl-phenyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(5-chloro-2-hydroxyphenyl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C21H11ClN2O6 MolecularWeight: 422.77484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C21H11ClN2O6/c22-13-5-7-18(25)17(10-13)23-20(27)15-6-4-12(9-16(15)21(23)28)19(26)11-2-1-3-14(8-11)24(29)30/h1-10,25H