2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(7-chloropiperonyloyl)amino]acetyl]amino]acetic acid Formula: C12H11ClN2O6 MolecularWeight: 314.67854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC(=O)NCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC(=O)NCC(=O)O)Cl

InChI

InChI=1S/C12H11ClN2O6/c13-7-1-6(2-8-11(7)21-5-20-8)12(19)15-3-9(16)14-4-10(17)18/h1-2H,3-5H2,(H,14,16)(H,15,19)(H,17,18)