2-hexyl-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-hexyl-5-nitro-isoindole-1,3-dione Openeye Name: 2-hexyl-5-nitro-isoindoline-1,3-dione CAS Name: 2-hexyl-5-nitroisoindole-1,3-dione IUPAC Name: 2-hexyl-5-nitroisoindole-1,3-dione Traditional Name: 2-hexyl-5-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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