N-butyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-butyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-butyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-butyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-butyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-butyl-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-2-3-6-15-12(18)8-16-13(19)10-5-4-9(17(21)22)7-11(10)14(16)20/h4-5,7H,2-3,6,8H2,1H3,(H,15,18)