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

Systemtic Name: 2-cyclooctyl-4-nitro-isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-nitro-isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-nitroisoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-nitroisoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-nitro-isoindoline-1,3-quinone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c19-15-12-9-6-10-13(18(21)22)14(12)16(20)17(15)11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2