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

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O6/c26-18-6-4-14(25(30)31)9-17(18)23-19(27)13-3-5-15-16(8-13)21(29)24(20(15)28)11-12-2-1-7-22-10-12/h1-10,26H,11H2,(H,23,27)