(E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]but-2-enoate

Systemtic Name: (E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]but-2-enoate Openeye Name: (E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]but-2-enoate CAS Name: (E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]-2-butenoate IUPAC Name: (E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylazaniumyl]but-2-enoate Traditional Name: (E)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylammonio]but-2-enoate Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC=CC(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]C/C=C/C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-13(16)6-3-7-14-8-10-9-17-11-4-1-2-5-12(11)18-10/h1-6,10,14H,7-9H2,(H,15,16)/b6-3+/t10-/m0/s1