N-(1-cyanocyclohexyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5/c18-10-17(6-2-1-3-7-17)19-14(22)9-20-15(23)12-5-4-11(21(25)26)8-13(12)16(20)24/h4-5,8H,1-3,6-7,9H2,(H,19,22)