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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7/c1-14(22-19(24)8-7-15-5-3-2-4-6-15)21(25)29-12-17-10-18(23(26)27)9-16-11-28-13-30-20(16)17/h2-10,14H,11-13H2,1H3,(H,22,24)/b8-7+/t14-/m0/s1