2-hexyl-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-hexyl-4-nitro-isoindole-1,3-dione Openeye Name: 2-hexyl-4-nitro-isoindoline-1,3-dione CAS Name: 2-hexyl-4-nitroisoindole-1,3-dione IUPAC Name: 2-hexyl-4-nitroisoindole-1,3-dione Traditional Name: 2-hexyl-4-nitro-isoindoline-1,3-quinone Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(16(19)20)12(10)14(15)18/h6-8H,2-5,9H2,1H3