2-(4-iodophenyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-iodophenyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(4-iodophenyl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(4-iodophenyl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(4-iodophenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(4-iodophenyl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C21H11IN2O5 MolecularWeight: 498.22691

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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=CC=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C21H11IN2O5/c22-14-5-7-15(8-6-14)23-20(26)17-9-4-13(11-18(17)21(23)27)19(25)12-2-1-3-16(10-12)24(28)29/h1-11H