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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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