4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-keto-butyric acid Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H14N2O6/c14-11(16)5-7(13(18)19)15-12(17)10-6-20-8-3-1-2-4-9(8)21-10/h1-4,7,10H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)