4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-4-keto-butyric acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CC(=O)N)C(=O)O

InChI

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