N-(3-bromophenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(3-bromophenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(3-bromophenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(3-bromophenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(3-bromophenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(3-bromophenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O5/c21-13-6-4-7-14(12-13)22-17(25)10-2-1-3-11-23-19(26)15-8-5-9-16(24(28)29)18(15)20(23)27/h4-9,12H,1-3,10-11H2,(H,22,25)