2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c24-17(21-10-5-11-29-13-14-6-2-1-3-7-14)12-22-19(25)15-8-4-9-16(23(27)28)18(15)20(22)26/h1-4,6-9H,5,10-13H2,(H,21,24)