2-[2-(2-cyclohexylimino-4-methyl-pyridin-1-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2-cyclohexylimino-4-methyl-pyridin-1-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-cyclohexylimino-4-methyl-1-pyridyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-cyclohexylimino-4-methylpyridin-1-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2-cyclohexylimino-4-methyl-1-pyridyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-14-10-11-24(18(12-14)23-15-6-3-2-4-7-15)19(27)13-25-21(28)16-8-5-9-17(26(30)31)20(16)22(25)29/h5,8-12,15H,2-4,6-7,13H2,1H3