(3-nitrophenyl) 2-(4-iodophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3-nitrophenyl) 2-(4-iodophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-nitrophenyl) 2-(4-iodophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-iodophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-iodophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (3-nitrophenyl) ester Formula: C21H11IN2O6 MolecularWeight: 514.22631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11IN2O6/c22-13-5-7-14(8-6-13)23-19(25)17-9-4-12(10-18(17)20(23)26)21(27)30-16-3-1-2-15(11-16)24(28)29/h1-11H