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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-methyl-acetamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3(CCCCC3)C#N

InChI

InChI=1S/C18H18N4O5/c1-20(18(11-19)7-3-2-4-8-18)15(23)10-21-16(24)13-6-5-12(22(26)27)9-14(13)17(21)25/h5-6,9H,2-4,7-8,10H2,1H3