(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c23-18(7-6-14-4-2-1-3-5-14)21-10-19(24)28-12-16-9-17(22(25)26)8-15-11-27-13-29-20(15)16/h1-9H,10-13H2,(H,21,23)/b7-6+