(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenethylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenethylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21NO6/c26-24(22-9-5-4-8-18(22)11-10-17-6-2-1-3-7-17)30-15-20-13-21(25(27)28)12-19-14-29-16-31-23(19)20/h1-9,12-13H,10-11,14-16H2