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

Systemtic Name: N-butyl-N-ethyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-butyl-N-ethyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-butyl-N-ethyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-butyl-N-ethyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-butyl-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-ethyl-acetamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-3-5-9-17(4-2)13(20)10-18-15(21)11-7-6-8-12(19(23)24)14(11)16(18)22/h6-8H,3-5,9-10H2,1-2H3