2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c25-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)13-23-21(26)17-7-4-8-18(24(28)29)20(17)22(23)27/h4,7-12,14H,1-3,5-6,13H2