2-(3-methylbutyl)-N-(4-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(3-methylbutyl)-N-(4-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H19N3O6/c1-11(2)7-8-22-19(26)14-5-3-12(9-15(14)20(22)27)18(25)21-16-6-4-13(23(28)29)10-17(16)24/h3-6,9-11,24H,7-8H2,1-2H3,(H,21,25)