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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c20-17(7-6-13-4-2-1-3-5-13)24-11-15-9-16(19(21)22)8-14-10-23-12-25-18(14)15/h1-5,8-9H,6-7,10-12H2