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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c24-19(7-6-15-4-2-1-3-5-15)22-9-8-20(25)29-13-17-11-18(23(26)27)10-16-12-28-14-30-21(16)17/h1-7,10-11H,8-9,12-14H2,(H,22,24)/b7-6+