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

Systemtic Name: 4-nitro-2-octyl-isoindole-1,3-dione Openeye Name: 4-nitro-2-octyl-isoindoline-1,3-dione CAS Name: 4-nitro-2-octylisoindole-1,3-dione IUPAC Name: 4-nitro-2-octylisoindole-1,3-dione Traditional Name: 4-nitro-2-octyl-isoindoline-1,3-quinone Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-11-17-15(19)12-9-8-10-13(18(21)22)14(12)16(17)20/h8-10H,2-7,11H2,1H3