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

Systemtic Name: 2-butyl-N-(5-nitro-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(2-hydroxy-5-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(2-hydroxy-5-nitrophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(2-hydroxy-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(2-hydroxy-5-nitro-phenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O6/c1-2-3-8-21-18(25)13-6-4-11(9-14(13)19(21)26)17(24)20-15-10-12(22(27)28)5-7-16(15)23/h4-7,9-10,23H,2-3,8H2,1H3,(H,20,24)