N-(2,3-dimethylcyclohexyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2,3-dimethylcyclohexyl)acetamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-10-5-3-7-13(11(10)2)19-15(22)9-20-17(23)12-6-4-8-14(21(25)26)16(12)18(20)24/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,19,22)