N-(5-nitro-2-oxidanyl-phenyl)-2-[2-(oxan-4-yl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-2-[2-(oxan-4-yl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-dioxo-2-(2-tetrahydropyran-4-ylethyl)isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-2-[2-(4-oxanyl)ethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-2-[2-(oxan-4-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-diketo-2-(2-tetrahydropyran-4-ylethyl)isoindoline-5-carboxamide Formula: C22H21N3O7 MolecularWeight: 439.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1COCCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H21N3O7/c26-19-4-2-15(25(30)31)12-18(19)23-20(27)14-1-3-16-17(11-14)22(29)24(21(16)28)8-5-13-6-9-32-10-7-13/h1-4,11-13,26H,5-10H2,(H,23,27)