(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c24-20(7-3-4-14-10-22-19-6-2-1-5-18(14)19)28-12-16-9-17(23(25)26)8-15-11-27-13-29-21(15)16/h1-2,5-6,8-10,22H,3-4,7,11-13H2