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

Systemtic Name: 2-cyclododecyl-4-nitro-isoindole-1,3-dione Openeye Name: 2-cyclododecyl-4-nitro-isoindoline-1,3-dione CAS Name: 2-cyclododecyl-4-nitroisoindole-1,3-dione IUPAC Name: 2-cyclododecyl-4-nitroisoindole-1,3-dione Traditional Name: 2-cyclododecyl-4-nitro-isoindoline-1,3-quinone Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCCCC(CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O4/c23-19-16-13-10-14-17(22(25)26)18(16)20(24)21(19)15-11-8-6-4-2-1-3-5-7-9-12-15/h10,13-15H,1-9,11-12H2