N-(4-iodanyl-2-methyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(4-iodo-2-methylphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-iodo-2-methylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-iodo-2-methyl-phenyl)propionamide Formula: C18H14IN3O5 MolecularWeight: 479.22533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14IN3O5/c1-10-9-11(19)5-6-13(10)20-15(23)7-8-21-17(24)12-3-2-4-14(22(26)27)16(12)18(21)25/h2-6,9H,7-8H2,1H3,(H,20,23)