(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H20N2O8/c1-13-4-5-17-18(7-13)22(27)23(21(17)26)6-2-3-19(25)31-11-15-9-16(24(28)29)8-14-10-30-12-32-20(14)15/h4-5,7-9H,2-3,6,10-12H2,1H3