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

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-(2-hydroxy-4-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-(2-hydroxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-(2-hydroxy-4-nitro-phenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H15N3O6/c26-19-11-15(25(30)31)7-9-18(19)23-20(27)14-6-8-16-17(10-14)22(29)24(21(16)28)12-13-4-2-1-3-5-13/h1-11,26H,12H2,(H,23,27)