N-(2,6-dimethylphenyl)-1-[2-(3-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-[2-(3-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]cyclohexane-1-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-1-[[2-(3-nitro-2-oxo-1-pyridyl)acetyl]amino]cyclohexanecarboxamide CAS Name: N-(2,6-dimethylphenyl)-1-[[2-(3-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-1-[[2-(3-nitro-2-oxopyridin-1-yl)acetyl]amino]cyclohexane-1-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-1-[[2-(2-keto-3-nitro-1-pyridyl)acetyl]amino]cyclohexanecarboxamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)NC(=O)CN3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)NC(=O)CN3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-15-8-6-9-16(2)19(15)23-21(29)22(11-4-3-5-12-22)24-18(27)14-25-13-7-10-17(20(25)28)26(30)31/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,23,29)(H,24,27)