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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-propyl-ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-propyl-acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-propylacetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-propylacetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-propyl-acetamide Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-2-6-14-10(17)7-15-12(18)8-4-3-5-9(16(20)21)11(8)13(15)19/h3-5H,2,6-7H2,1H3,(H,14,17)