5-butyl-4-nitro-isoindole-1,3-dione

Systemtic Name: 5-butyl-4-nitro-isoindole-1,3-dione Openeye Name: 5-butyl-4-nitro-isoindoline-1,3-dione CAS Name: 5-butyl-4-nitroisoindole-1,3-dione IUPAC Name: 5-butyl-4-nitroisoindole-1,3-dione Traditional Name: 5-butyl-4-nitro-isoindoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-2-3-4-7-5-6-8-9(10(7)14(17)18)12(16)13-11(8)15/h5-6H,2-4H2,1H3,(H,13,15,16)