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

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-dioxo-2-phenyl-isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-phenyl-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-diketo-2-phenyl-isoindoline-5-carboxamide Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H13N3O6/c25-18-9-7-14(24(29)30)11-17(18)22-19(26)12-6-8-15-16(10-12)21(28)23(20(15)27)13-4-2-1-3-5-13/h1-11,25H,(H,22,26)