N-(2-methoxy-5-nitro-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)hexanamide Formula: C21H20N4O8 MolecularWeight: 456.4055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O8/c1-33-17-10-9-13(24(29)30)12-15(17)22-18(26)8-3-2-4-11-23-20(27)14-6-5-7-16(25(31)32)19(14)21(23)28/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,22,26)