2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]-3-hydroxy-butyric acid Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCCO2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCCO2)O

InChI

InChI=1S/C13H14ClNO6/c1-6(16)10(13(18)19)15-12(17)7-4-8(14)11-9(5-7)20-2-3-21-11/h4-6,10,16H,2-3H2,1H3,(H,15,17)(H,18,19)