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

Systemtic Name: N,N-dicyclohexyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N,N-dicyclohexyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N,N-dicyclohexyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N,N-dicyclohexyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N,N-dicyclohexyl-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c26-19(24(15-8-3-1-4-9-15)16-10-5-2-6-11-16)14-23-21(27)17-12-7-13-18(25(29)30)20(17)22(23)28/h7,12-13,15-16H,1-6,8-11,14H2