N-(5-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxamide Formula: C20H17N3O7 MolecularWeight: 411.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N3O7/c24-17-6-4-12(23(28)29)9-16(17)21-18(25)11-3-5-14-15(8-11)20(27)22(19(14)26)10-13-2-1-7-30-13/h3-6,8-9,13,24H,1-2,7,10H2,(H,21,25)