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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6/c24-22(17-8-6-16(7-9-17)15-4-2-1-3-5-15)28-13-19-11-20(23(25)26)10-18-12-27-14-29-21(18)19/h1-11H,12-14H2