N-(2-iodanylphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(2-iodanylphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-iodophenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-iodophenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-iodophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2-iodophenyl)propionamide Formula: C17H12IN3O5 MolecularWeight: 465.19875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])I

InChI

InChI=1S/C17H12IN3O5/c18-13-3-1-2-4-14(13)19-15(22)7-8-20-16(23)11-6-5-10(21(25)26)9-12(11)17(20)24/h1-6,9H,7-8H2,(H,19,22)