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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21NO7/c1-2-26-18-6-4-3-5-14(18)7-8-19(22)27-12-16-10-17(21(23)24)9-15-11-25-13-28-20(15)16/h3-6,9-10H,2,7-8,11-13H2,1H3